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

C13H10N2OS3 — CID 7615080

IUPACN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCSc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2OS3/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16)
InChIKeyORZDHBMQPFHEDQ-UHFFFAOYSA-N
MW306.44 g/mol
LogP4.33
Rot. Bonds3

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

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7615080) has the molecular formula C13H10N2OS3 and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7615080
Molecular FormulaC13H10N2OS3
Molecular Weight306.44 g/mol
Exact Mass306.00
IUPAC NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCSc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2OS3/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16)
InChIKeyORZDHBMQPFHEDQ-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 71962512
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953807
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
butyl 2-(thiophene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 17127785
N-[[2-(thiophene-2-carbonylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]thiophene-2-carboxamide
CID 17273939
N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23101523
N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 17428438
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4139191

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7615080) is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CSc1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ORZDHBMQPFHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS3/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7615080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).