N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide

C24H25ClN8OS — CID 59757793

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)n1
InChIInChI=1S/C24H25ClN8OS/c1-14-9-20(30-21-11-18(32-33-21)16-5-6-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-8-7-15-3-2-4-17(25)10-15/h2-4,9-11,13,16H,5-8,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33)
InChIKeyDGKBWJOXNOLFEJ-UHFFFAOYSA-N
MW509.04 g/mol
LogP4.82
Rot. Bonds10

About N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 59757793) has the molecular formula C24H25ClN8OS and a molecular weight of 509.04 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID59757793
Molecular FormulaC24H25ClN8OS
Molecular Weight509.04 g/mol
Exact Mass508.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)n1
InChIInChI=1S/C24H25ClN8OS/c1-14-9-20(30-21-11-18(32-33-21)16-5-6-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-8-7-15-3-2-4-17(25)10-15/h2-4,9-11,13,16H,5-8,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33)
InChIKeyDGKBWJOXNOLFEJ-UHFFFAOYSA-N
XLogP4.82
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.04
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(5-phenyl-1H-pyrazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968464
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757858
2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 59758149
US20240239774, Example 94
CID 166101790
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71795655
2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-N-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 68264110
2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 47038546
N-[(3-chloro-4-fluorophenyl)methyl]-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3837709
N-[(4-fluorophenyl)methyl]-2-[1-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3855377
N-[(3-Chloro-4-fluorophenyl)methyl]-2-[methyl({3-methyl-1-phenyl-1H-pyrazolo[3,4-D][1,3]thiazol-5-YL})amino]acetamide
CID 53195784
2-(3-chloro-4-fluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 167960017
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine-3-carboxamide
CID 71795657

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 59757793) is N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(C(=O)NCCc3cccc(Cl)c3)cs2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DGKBWJOXNOLFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8OS/c1-14-9-20(30-21-11-18(32-33-21)16-5-6-16)31-24(28-14)27-12-22-29-19(13-35-22)23(34)26-8-7-15-3-2-4-17(25)10-15/h2-4,9-11,13,16H,5-8,12H2,1H3,(H,26,34)(H3,27,28,30,31,32,33).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 509.04 g/mol, XLogP of 4.82, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59757793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).