N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

C16H16N4OS — CID 16622498

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)sc1C
InChIInChI=1S/C16H16N4OS/c1-11-12(2)22-16(18-11)19-15(21)8-13-9-17-20(10-13)14-6-4-3-5-7-14/h3-7,9-10H,8H2,1-2H3,(H,18,19,21)
InChIKeyJYFKUUGGAAVJMW-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.13
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16622498) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16622498
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)sc1C
InChIInChI=1S/C16H16N4OS/c1-11-12(2)22-16(18-11)19-15(21)8-13-9-17-20(10-13)14-6-4-3-5-7-14/h3-7,9-10H,8H2,1-2H3,(H,18,19,21)
InChIKeyJYFKUUGGAAVJMW-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614958
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
methyl 4,5-dimethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 51335668
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621598
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614530

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16622498) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is Cc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is JYFKUUGGAAVJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-12(2)22-16(18-11)19-15(21)8-13-9-17-20(10-13)14-6-4-3-5-7-14/h3-7,9-10H,8H2,1-2H3,(H,18,19,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16622498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).