N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C16H15N3O3S2 — CID 46809326

IUPACN-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)CCNC(=O)c3cccs3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-22-10-4-5-11-13(9-10)24-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVBDFEYPGADQIOQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 46809326) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID46809326
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)CCNC(=O)c3cccs3)sc2c1
InChIInChI=1S/C16H15N3O3S2/c1-22-10-4-5-11-13(9-10)24-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVBDFEYPGADQIOQ-UHFFFAOYSA-N
XLogP3.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
N-[4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208438
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
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
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46491498
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)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 46809326) is N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is COc1ccc2nc(NC(=O)CCNC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is VBDFEYPGADQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-22-10-4-5-11-13(9-10)24-16(18-11)19-14(20)6-7-17-15(21)12-3-2-8-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 46809326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).