N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C16H14ClN3OS — CID 31662305

IUPACN-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12
InChIInChI=1S/C16H14ClN3OS/c1-11-5-6-12(17)8-14(11)19-15(21)10-22-16-18-9-13-4-2-3-7-20(13)16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBGAFVUOBQFSXGG-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.03
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 31662305) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID31662305
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12
InChIInChI=1S/C16H14ClN3OS/c1-11-5-6-12(17)8-14(11)19-15(21)10-22-16-18-9-13-4-2-3-7-20(13)16/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBGAFVUOBQFSXGG-UHFFFAOYSA-N
XLogP4.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31709417
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 32508700
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2603871
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
N-(5-chloro-2-methylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1015118
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-(5-chloro-2-methylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722910
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1206535

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 31662305) is N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is BGAFVUOBQFSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-11-5-6-12(17)8-14(11)19-15(21)10-22-16-18-9-13-4-2-3-7-20(13)16/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 331.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 31662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).