N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

C16H14ClN5OS — CID 97002812

IUPACN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H14ClN5OS/c1-8-13(24-16(20-8)14-18-7-19-22-14)15(23)21-12-6-10(12)9-4-2-3-5-11(9)17/h2-5,7,10,12H,6H2,1H3,(H,21,23)(H,18,19,22)/t10-,12+/m0/s1
InChIKeyUIZSAJJYWZAPII-CMPLNLGQSA-N
MW359.84 g/mol
LogP3.18
Rot. Bonds4

About N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97002812) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID97002812
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H14ClN5OS/c1-8-13(24-16(20-8)14-18-7-19-22-14)15(23)21-12-6-10(12)9-4-2-3-5-11(9)17/h2-5,7,10,12H,6H2,1H3,(H,21,23)(H,18,19,22)/t10-,12+/m0/s1
InChIKeyUIZSAJJYWZAPII-CMPLNLGQSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 56784837
4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94823559
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95320603
(2S)-1-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 124577058
[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
CID 56802649
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 111452172
methyl 2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 52532688
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
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N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (CID 97002812) is N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncn[nH]2)sc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UIZSAJJYWZAPII-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-8-13(24-16(20-8)14-18-7-19-22-14)15(23)21-12-6-10(12)9-4-2-3-5-11(9)17/h2-5,7,10,12H,6H2,1H3,(H,21,23)(H,18,19,22)/t10-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97002812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).