N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C13H10N2O2S2 — CID 22577324

IUPACN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C13H10N2O2S2/c1-15-9-5-4-8(7-11(9)19-13(15)17)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16)
InChIKeyNPHYSMXCWIXLIQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.91
Rot. Bonds2

About N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 22577324) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID22577324
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C13H10N2O2S2/c1-15-9-5-4-8(7-11(9)19-13(15)17)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16)
InChIKeyNPHYSMXCWIXLIQ-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 22577330
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100528512
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
CID 100536950
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(1-tert-butylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828721
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 22577324) is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is Cn1c(=O)sc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is NPHYSMXCWIXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-15-9-5-4-8(7-11(9)19-13(15)17)14-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,16).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 22577324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).