(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine

C60H57Cl3F6N12O8S4 — CID 157257819

IUPAC(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1nc2nc(C3CC3)nc(Cl)c2s1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2nc3nc(C4CC4)nc(Cl)c3s2)CCN1S(=O)(=O)c1ccc(C2CC2)cc1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CNCCN1S(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C30H28ClF3N6O4S2.C22H24F3N3O4S.C8H5Cl2N3S/c31-25-24-27(37-26(36-25)20-5-6-20)38-29(45-24)39-13-14-40(46(42,43)22-11-7-19(8-12-22)18-3-4-18)23(16-39)28(41)35-15-17-1-9-21(10-2-17)44-30(32,33)34;23-22(24,25)32-18-7-1-15(2-8-18)13-27-21(29)20-14-26-11-12-28(20)33(30,31)19-9-5-17(6-10-19)16-3-4-16;9-5-4-7(13-8(10)14-4)12-6(11-5)3-1-2-3/h1-2,7-12,18,20,23H,3-6,13-16H2,(H,35,41);1-2,5-10,16,20,26H,3-4,11-14H2,(H,27,29);3H,1-2H2/t23-;20-;/m11./s1
InChIKeyAXCDDPIFKIXPQA-FAAASRTMSA-N
MW1422.81 g/mol
LogP11.60
Rot. Bonds17

About (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine

(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 157257819) has the molecular formula C60H57Cl3F6N12O8S4 and a molecular weight of 1422.81 g/mol. Its IUPAC name is (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID157257819
Molecular FormulaC60H57Cl3F6N12O8S4
Molecular Weight1422.81 g/mol
Exact Mass1420.23
IUPAC Name(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1nc2nc(C3CC3)nc(Cl)c2s1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2nc3nc(C4CC4)nc(Cl)c3s2)CCN1S(=O)(=O)c1ccc(C2CC2)cc1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CNCCN1S(=O)(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C30H28ClF3N6O4S2.C22H24F3N3O4S.C8H5Cl2N3S/c31-25-24-27(37-26(36-25)20-5-6-20)38-29(45-24)39-13-14-40(46(42,43)22-11-7-19(8-12-22)18-3-4-18)23(16-39)28(41)35-15-17-1-9-21(10-2-17)44-30(32,33)34;23-22(24,25)32-18-7-1-15(2-8-18)13-27-21(29)20-14-26-11-12-28(20)33(30,31)19-9-5-17(6-10-19)16-3-4-16;9-5-4-7(13-8(10)14-4)12-6(11-5)3-1-2-3/h1-2,7-12,18,20,23H,3-6,13-16H2,(H,35,41);1-2,5-10,16,20,26H,3-4,11-14H2,(H,27,29);3H,1-2H2/t23-;20-;/m11./s1
InChIKeyAXCDDPIFKIXPQA-FAAASRTMSA-N
XLogP11.60
TPSA244.03 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001422.81
LogP ≤ 511.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 157257819) is (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine is Clc1nc2nc(C3CC3)nc(Cl)c2s1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2nc3nc(C4CC4)nc(Cl)c3s2)CCN1S(=O)(=O)c1ccc(C2CC2)cc1.O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CNCCN1S(=O)(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is AXCDDPIFKIXPQA-FAAASRTMSA-N. The full InChI is InChI=1S/C30H28ClF3N6O4S2.C22H24F3N3O4S.C8H5Cl2N3S/c31-25-24-27(37-26(36-25)20-5-6-20)38-29(45-24)39-13-14-40(46(42,43)22-11-7-19(8-12-22)18-3-4-18)23(16-39)28(41)35-15-17-1-9-21(10-2-17)44-30(32,33)34;23-22(24,25)32-18-7-1-15(2-8-18)13-27-21(29)20-14-26-11-12-28(20)33(30,31)19-9-5-17(6-10-19)16-3-4-16;9-5-4-7(13-8(10)14-4)12-6(11-5)3-1-2-3/h1-2,7-12,18,20,23H,3-6,13-16H2,(H,35,41);1-2,5-10,16,20,26H,3-4,11-14H2,(H,27,29);3H,1-2H2/t23-;20-;/m11./s1.
What are the key properties of (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine?
(2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 1422.81 g/mol, XLogP of 11.60, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(7-chloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;(2R)-1-(4-cyclopropylphenyl)sulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2-carboxamide;2,7-dichloro-5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 157257819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).