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

C19H18N2O3S — CID 108807550

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
SMILESCOc1ccc2nc(NC(=O)CCCC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H18N2O3S/c1-24-14-10-11-15-17(12-14)25-19(20-15)21-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,23)
InChIKeyHGLGOWDNHHFNNT-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.30
Rot. Bonds7

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide (PubChem CID 108807550) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
PubChem CID108807550
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
SMILESCOc1ccc2nc(NC(=O)CCCC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H18N2O3S/c1-24-14-10-11-15-17(12-14)25-19(20-15)21-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,23)
InChIKeyHGLGOWDNHHFNNT-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
ethyl 2-[(5-oxo-5-phenylpentanoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 108739216
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
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
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670
4-(5-chlorothiophen-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 55464124
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
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-phenylpentanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide (CID 108807550) is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide is COc1ccc2nc(NC(=O)CCCC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide?
The InChIKey is HGLGOWDNHHFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-14-10-11-15-17(12-14)25-19(20-15)21-18(23)9-5-8-16(22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide has a molecular weight of 354.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108807550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).