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

C13H10N2O2S2 — CID 2161628

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C13H10N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,16)
InChIKeyNTDRTSAQTBRJNC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.86
Rot. Bonds3

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

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (PubChem CID 2161628) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
PubChem CID2161628
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C13H10N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,16)
InChIKeyNTDRTSAQTBRJNC-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 23613200
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
CID 51998968
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 62954057

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (CID 2161628) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is CSc1nc2ccc(NC(=O)c3ccco3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The InChIKey is NTDRTSAQTBRJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 2161628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).