N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C17H14N2O2S — CID 1085966

IUPACN-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H14N2O2S/c1-10(20)12-3-6-14(7-4-12)19-17(21)13-5-8-15-16(9-13)22-11(2)18-15/h3-9H,1-2H3,(H,19,21)
InChIKeyRQYXWIGKXBCAIQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.06
Rot. Bonds3

About N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 1085966) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID1085966
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H14N2O2S/c1-10(20)12-3-6-14(7-4-12)19-17(21)13-5-8-15-16(9-13)22-11(2)18-15/h3-9H,1-2H3,(H,19,21)
InChIKeyRQYXWIGKXBCAIQ-UHFFFAOYSA-N
XLogP4.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-1,3-benzothiazole-6-carboxamide
CID 23646612
SB-782443
CID 9951636
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060
2-Benzoylbenzothiazole
CID 318178
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 941149

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 1085966) is N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is RQYXWIGKXBCAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-10(20)12-3-6-14(7-4-12)19-17(21)13-5-8-15-16(9-13)22-11(2)18-15/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 1085966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).