2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide

C19H16N4OS2 — CID 47942617

IUPAC2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2ncc3ccccn23)cs1)Nc1ccccc1
InChIInChI=1S/C19H16N4OS2/c24-17(21-14-6-2-1-3-7-14)10-18-22-15(12-25-18)13-26-19-20-11-16-8-4-5-9-23(16)19/h1-9,11-12H,10,13H2,(H,21,24)
InChIKeyQXCBZLIBDDCWDL-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.26
Rot. Bonds6

About 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 47942617) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID47942617
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2ncc3ccccn23)cs1)Nc1ccccc1
InChIInChI=1S/C19H16N4OS2/c24-17(21-14-6-2-1-3-7-14)10-18-22-15(12-25-18)13-26-19-20-11-16-8-4-5-9-23(16)19/h1-9,11-12H,10,13H2,(H,21,24)
InChIKeyQXCBZLIBDDCWDL-UHFFFAOYSA-N
XLogP4.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942946
2-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942202
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 167753812
2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47943191
2-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 30056358
2-[4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 31276477
2-[4-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 46660216
2-[4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 52756424
2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 7977823
2-[4-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 52756425
N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 60588659
2-[4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2662711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 47942617) is 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(CSc2ncc3ccccn23)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is QXCBZLIBDDCWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c24-17(21-14-6-2-1-3-7-14)10-18-22-15(12-25-18)13-26-19-20-11-16-8-4-5-9-23(16)19/h1-9,11-12H,10,13H2,(H,21,24).
What are the key properties of 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 380.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 47942617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).