1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea

C103H118N26O5S4 — CID 160658066

IUPAC1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
SMILESCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)c1
InChIInChI=1S/C28H33N7O2S.C25H29N7OS.2C25H28N6OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18;1-17-6-5-7-19(14-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)9-8-18-10-12-26-13-11-18/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32);5-7,10-16H,8-9H2,1-4H3,(H2,27,28,29,32)
InChIKeyRLHRHTHPNHROEZ-UHFFFAOYSA-N
MW1928.52 g/mol
LogP22.97
Rot. Bonds26

About 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea (PubChem CID 160658066) has the molecular formula C103H118N26O5S4 and a molecular weight of 1928.52 g/mol. Its IUPAC name is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
PubChem CID160658066
Molecular FormulaC103H118N26O5S4
Molecular Weight1928.52 g/mol
Exact Mass1926.87
IUPAC Name1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
SMILESCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)c1
InChIInChI=1S/C28H33N7O2S.C25H29N7OS.2C25H28N6OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18;1-17-6-5-7-19(14-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)9-8-18-10-12-26-13-11-18/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32);5-7,10-16H,8-9H2,1-4H3,(H2,27,28,29,32)
InChIKeyRLHRHTHPNHROEZ-UHFFFAOYSA-N
XLogP22.97
TPSA394.04 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms138
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001928.52
LogP ≤ 522.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea (CID 160658066) is 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea is CCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)s2)ccn1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccnc(N)c3)s2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)cc1.Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ncc(CCc3ccncc3)s2)c1.
What is the InChIKey of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is RLHRHTHPNHROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2S.C25H29N7OS.2C25H28N6OS/c1-6-25(36)31-23-15-19(13-14-29-23)9-12-21-17-30-27(38-21)33-26(37)32-24-16-22(28(3,4)5)34-35(24)20-10-7-18(2)8-11-20;1-16-5-8-18(9-6-16)32-22(14-20(31-32)25(2,3)4)29-23(33)30-24-28-15-19(34-24)10-7-17-11-12-27-21(26)13-17;1-17-5-8-19(9-6-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)10-7-18-11-13-26-14-12-18;1-17-6-5-7-19(14-17)31-22(15-21(30-31)25(2,3)4)28-23(32)29-24-27-16-20(33-24)9-8-18-10-12-26-13-11-18/h7-8,10-11,13-17H,6,9,12H2,1-5H3,(H,29,31,36)(H2,30,32,33,37);5-6,8-9,11-15H,7,10H2,1-4H3,(H2,26,27)(H2,28,29,30,33);5-6,8-9,11-16H,7,10H2,1-4H3,(H2,27,28,29,32);5-7,10-16H,8-9H2,1-4H3,(H2,27,28,29,32).
What are the key properties of 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea?
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 1928.52 g/mol, XLogP of 22.97, 26 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 160658066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).