N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide

C16H16N2O3S2 — CID 41125623

IUPACN-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCOc1ccc2s/c(=N\C(=O)c3ccco3)n(CCSC)c2c1
InChIInChI=1S/C16H16N2O3S2/c1-20-11-5-6-14-12(10-11)18(7-9-22-2)16(23-14)17-15(19)13-4-3-8-21-13/h3-6,8,10H,7,9H2,1-2H3/b17-16-
InChIKeyHVGCHIJNRXSVBR-MSUUIHNZSA-N
MW348.45 g/mol
LogP3.41
Rot. Bonds5

About N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide

N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide (PubChem CID 41125623) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
PubChem CID41125623
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCOc1ccc2s/c(=N\C(=O)c3ccco3)n(CCSC)c2c1
InChIInChI=1S/C16H16N2O3S2/c1-20-11-5-6-14-12(10-11)18(7-9-22-2)16(23-14)17-15(19)13-4-3-8-21-13/h3-6,8,10H,7,9H2,1-2H3/b17-16-
InChIKeyHVGCHIJNRXSVBR-MSUUIHNZSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzoyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 30680492
N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 30680494
N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide
CID 41148452
N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880162
methyl 4-[[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 41124918
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41364421
2,4-dichloro-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41124888
2,3-dimethoxy-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41124950
methyl 2-[2-(furan-2-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 40508896
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696
N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-yloxybenzamide
CID 41124938
N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
CID 40699905

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide (CID 41125623) is N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide is COc1ccc2s/c(=N\C(=O)c3ccco3)n(CCSC)c2c1.
What is the InChIKey of N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is HVGCHIJNRXSVBR-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-20-11-5-6-14-12(10-11)18(7-9-22-2)16(23-14)17-15(19)13-4-3-8-21-13/h3-6,8,10H,7,9H2,1-2H3/b17-16-.
What are the key properties of N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide?
N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 41125623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).