4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide

C16H13ClN2O3S2 — CID 55464124

IUPAC4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc2nc(NC(=O)CCC(=O)c3ccc(Cl)s3)sc2c1
InChIInChI=1S/C16H13ClN2O3S2/c1-22-9-2-3-10-13(8-9)24-16(18-10)19-15(21)7-4-11(20)12-5-6-14(17)23-12/h2-3,5-6,8H,4,7H2,1H3,(H,18,19,21)
InChIKeyQULJJGZWWFYCMK-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.62
Rot. Bonds6

About 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide (PubChem CID 55464124) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
PubChem CID55464124
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC Name4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc2nc(NC(=O)CCC(=O)c3ccc(Cl)s3)sc2c1
InChIInChI=1S/C16H13ClN2O3S2/c1-22-9-2-3-10-13(8-9)24-16(18-10)19-15(21)7-4-11(20)12-5-6-14(17)23-12/h2-3,5-6,8H,4,7H2,1H3,(H,18,19,21)
InChIKeyQULJJGZWWFYCMK-UHFFFAOYSA-N
XLogP4.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
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
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
4-(5-chloro-2-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 108747754
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide (CID 55464124) is 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide is COc1ccc2nc(NC(=O)CCC(=O)c3ccc(Cl)s3)sc2c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide?
The InChIKey is QULJJGZWWFYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c1-22-9-2-3-10-13(8-9)24-16(18-10)19-15(21)7-4-11(20)12-5-6-14(17)23-12/h2-3,5-6,8H,4,7H2,1H3,(H,18,19,21).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide has a molecular weight of 380.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55464124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).