5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C17H14N2O3S — CID 18081234

IUPAC5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(C)s3)o2)cc1
InChIInChI=1S/C17H14N2O3S/c1-10-9-18-17(23-10)19-16(21)15-8-7-14(22-15)13-5-3-12(4-6-13)11(2)20/h3-9H,1-2H3,(H,18,19,21)
InChIKeyBZRBMQOKDTXEJP-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.17
Rot. Bonds4

About 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 18081234) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID18081234
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(C)s3)o2)cc1
InChIInChI=1S/C17H14N2O3S/c1-10-9-18-17(23-10)19-16(21)15-8-7-14(22-15)13-5-3-12(4-6-13)11(2)20/h3-9H,1-2H3,(H,18,19,21)
InChIKeyBZRBMQOKDTXEJP-UHFFFAOYSA-N
XLogP4.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 18081234) is 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(C)s3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is BZRBMQOKDTXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-10-9-18-17(23-10)19-16(21)15-8-7-14(22-15)13-5-3-12(4-6-13)11(2)20/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 18081234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).