1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea

C109H122F4N28O9S4 — CID 161138912

IUPAC1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C(C)N4CCOCC4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCC(F)(F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@H](F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@H](F)C4)ccn3)c2s1
InChIInChI=1S/C28H33N7O3S.C27H29F2N7O2S.2C27H30FN7O2S/c1-5-29-26(36)34-27-33-23-14-19(20-15-31-25(32-16-20)28(3,4)37)12-21(24(23)39-27)22-13-18(6-7-30-22)17(2)35-8-10-38-11-9-35;1-4-30-24(37)35-25-34-21-11-17(18-12-32-23(33-13-18)26(2,3)38)10-19(22(21)39-25)20-9-16(5-7-31-20)14-36-8-6-27(28,29)15-36;2*1-4-29-25(36)34-26-33-22-11-17(18-12-31-24(32-13-18)27(2,3)37)10-20(23(22)38-26)21-9-16(5-7-30-21)14-35-8-6-19(28)15-35/h6-7,12-17,37H,5,8-11H2,1-4H3,(H2,29,33,34,36);5,7,9-13,38H,4,6,8,14-15H2,1-3H3,(H2,30,34,35,37);2*5,7,9-13,19,37H,4,6,8,14-15H2,1-3H3,(H2,29,33,34,36)/t;;2*19-/m..10/s1
InChIKeyUNECEYLWWAIFRP-JKICFVPCSA-N
MW2172.62 g/mol
LogP19.06
Rot. Bonds28

About 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea

1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea (PubChem CID 161138912) has the molecular formula C109H122F4N28O9S4 and a molecular weight of 2172.62 g/mol. Its IUPAC name is 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea
PubChem CID161138912
Molecular FormulaC109H122F4N28O9S4
Molecular Weight2172.62 g/mol
Exact Mass2170.88
IUPAC Name1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C(C)N4CCOCC4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCC(F)(F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@H](F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@H](F)C4)ccn3)c2s1
InChIInChI=1S/C28H33N7O3S.C27H29F2N7O2S.2C27H30FN7O2S/c1-5-29-26(36)34-27-33-23-14-19(20-15-31-25(32-16-20)28(3,4)37)12-21(24(23)39-27)22-13-18(6-7-30-22)17(2)35-8-10-38-11-9-35;1-4-30-24(37)35-25-34-21-11-17(18-12-32-23(33-13-18)26(2,3)38)10-19(22(21)39-25)20-9-16(5-7-31-20)14-36-8-6-27(28,29)15-36;2*1-4-29-25(36)34-26-33-22-11-17(18-12-31-24(32-13-18)27(2,3)37)10-20(23(22)38-26)21-9-16(5-7-30-21)14-35-8-6-19(28)15-35/h6-7,12-17,37H,5,8-11H2,1-4H3,(H2,29,33,34,36);5,7,9-13,38H,4,6,8,14-15H2,1-3H3,(H2,30,34,35,37);2*5,7,9-13,19,37H,4,6,8,14-15H2,1-3H3,(H2,29,33,34,36)/t;;2*19-/m..10/s1
InChIKeyUNECEYLWWAIFRP-JKICFVPCSA-N
XLogP19.06
TPSA473.87 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.62
LogP ≤ 519.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-3-[5-[2-(1-hydroxy-2-morpholin-4-ylethyl)pyrimidin-5-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
CID 71765071
1-[7-[4-[(3,3-Difluoropyrrolidin-1-yl)methyl]pyridin-2-yl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71765563
1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 71765564
1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 71765565
1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]urea
CID 71765605
1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(1-hydroxyethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 71765200
1-[7-[4-[(3,3-Difluoropiperidin-1-yl)methyl]pyridin-2-yl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71765566
1-[7-[4-[(4,4-Difluoropiperidin-1-yl)methyl]pyridin-2-yl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea
CID 89807046
1-Ethyl-3-[7-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[2-(1-hydroxyethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 89807246
1-Ethyl-3-[7-[4-(morpholin-4-ylmethyl)pyridin-2-yl]-5-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 118520943
1-Ethyl-3-[5-[2-[4-[[7-[4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(1-hydroxyethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]carbamoylamino]-1-hydroxybutyl]pyrimidin-5-yl]-7-[4-[(3-hydroxyazetidin-1-yl)methyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]urea
CID 123179086
1-Ethyl-3-[7-[4-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea
CID 123339401

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea (CID 161138912) is 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C(C)N4CCOCC4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCC(F)(F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@H](F)C4)ccn3)c2s1.CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@H](F)C4)ccn3)c2s1.
What is the InChIKey of 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea?
The InChIKey is UNECEYLWWAIFRP-JKICFVPCSA-N. The full InChI is InChI=1S/C28H33N7O3S.C27H29F2N7O2S.2C27H30FN7O2S/c1-5-29-26(36)34-27-33-23-14-19(20-15-31-25(32-16-20)28(3,4)37)12-21(24(23)39-27)22-13-18(6-7-30-22)17(2)35-8-10-38-11-9-35;1-4-30-24(37)35-25-34-21-11-17(18-12-32-23(33-13-18)26(2,3)38)10-19(22(21)39-25)20-9-16(5-7-31-20)14-36-8-6-27(28,29)15-36;2*1-4-29-25(36)34-26-33-22-11-17(18-12-31-24(32-13-18)27(2,3)37)10-20(23(22)38-26)21-9-16(5-7-30-21)14-35-8-6-19(28)15-35/h6-7,12-17,37H,5,8-11H2,1-4H3,(H2,29,33,34,36);5,7,9-13,38H,4,6,8,14-15H2,1-3H3,(H2,30,34,35,37);2*5,7,9-13,19,37H,4,6,8,14-15H2,1-3H3,(H2,29,33,34,36)/t;;2*19-/m..10/s1.
What are the key properties of 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea?
1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea has a molecular weight of 2172.62 g/mol, XLogP of 19.06, 28 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-3-ethylurea;1-ethyl-3-[7-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[7-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]urea;1-ethyl-3-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7-[4-(1-morpholin-4-ylethyl)-2-pyridinyl]-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 161138912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).