N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C13H10N2O2S — CID 958964

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCn1/c(=N/C(=O)c2ccco2)sc2ccccc21
InChIInChI=1S/C13H10N2O2S/c1-15-9-5-2-3-7-11(9)18-13(15)14-12(16)10-6-4-8-17-10/h2-8H,1H3/b14-13-
InChIKeyLMIMVAOOGHDALO-YPKPFQOOSA-N
MW258.30 g/mol
LogP2.57
Rot. Bonds1

About N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 958964) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID958964
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCn1/c(=N/C(=O)c2ccco2)sc2ccccc21
InChIInChI=1S/C13H10N2O2S/c1-15-9-5-2-3-7-11(9)18-13(15)14-12(16)10-6-4-8-17-10/h2-8H,1H3/b14-13-
InChIKeyLMIMVAOOGHDALO-YPKPFQOOSA-N
XLogP2.57
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-1-furan-2-yl-ethanone
CID 5377877
N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]furan-2-carboxamide
CID 46230407
(Z)-1-(furan-2-ylmethoxy)-3-(2-(methylimino)benzo[d]thiazol-3(2H)-yl)propan-2-ol
CID 658472
(Z)-N-(4-oxo-3-phenylthiazolidin-2-ylidene)furan-2-carboxamide
CID 1379458
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 2159198
(Z)-N-(3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)furan-2-carboxamide
CID 2159206
(Z)-N-(4,7-dimethoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)furan-2-carboxamide
CID 2159338
(Z)-methyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
CID 3309127
(Z)-ethyl 2-((furan-2-carbonyl)imino)-3-(2-methoxyethyl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
CID 3443169
Methyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 3550924
(Z)-ethyl 3-allyl-2-((furan-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
CID 5188683
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 2151347

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 958964) is N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is Cn1/c(=N/C(=O)c2ccco2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is LMIMVAOOGHDALO-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-9-5-2-3-7-11(9)18-13(15)14-12(16)10-6-4-8-17-10/h2-8H,1H3/b14-13-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).