N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide

C17H16N2O3S2 — CID 24666179

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESCOc1ccc2nc(NC(=O)CCCC(=O)c3cccs3)sc2c1
InChIInChI=1S/C17H16N2O3S2/c1-22-11-7-8-12-15(10-11)24-17(18-12)19-16(21)6-2-4-13(20)14-5-3-9-23-14/h3,5,7-10H,2,4,6H2,1H3,(H,18,19,21)
InChIKeyGKFMTIASNDZENI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.36
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 24666179) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID24666179
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
SMILESCOc1ccc2nc(NC(=O)CCCC(=O)c3cccs3)sc2c1
InChIInChI=1S/C17H16N2O3S2/c1-22-11-7-8-12-15(10-11)24-17(18-12)19-16(21)6-2-4-13(20)14-5-3-9-23-14/h3,5,7-10H,2,4,6H2,1H3,(H,18,19,21)
InChIKeyGKFMTIASNDZENI-UHFFFAOYSA-N
XLogP4.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 46809326
4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 55464124
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide (CID 24666179) is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide is COc1ccc2nc(NC(=O)CCCC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is GKFMTIASNDZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-22-11-7-8-12-15(10-11)24-17(18-12)19-16(21)6-2-4-13(20)14-5-3-9-23-14/h3,5,7-10H,2,4,6H2,1H3,(H,18,19,21).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 360.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 24666179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).