N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H13ClN4OS — CID 71993391

IUPACN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccnn2-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H13ClN4OS/c1-10-18-12(9-22-10)8-15(21)19-14-6-7-17-20(14)13-4-2-11(16)3-5-13/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyPYNHMXNHHVQCCF-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71993391) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID71993391
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccnn2-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H13ClN4OS/c1-10-18-12(9-22-10)8-15(21)19-14-6-7-17-20(14)13-4-2-11(16)3-5-13/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyPYNHMXNHHVQCCF-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 86998526
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24506448
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(1-methylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473002

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 71993391) is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ccnn2-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PYNHMXNHHVQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-10-18-12(9-22-10)8-15(21)19-14-6-7-17-20(14)13-4-2-11(16)3-5-13/h2-7,9H,8H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 332.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71993391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).