N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide

C19H23N3O3S2 — CID 50832495

IUPACN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H23N3O3S2/c23-18(12-14-6-4-5-7-14)21-19-20-16-10-11-22(13-17(16)26-19)27(24,25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,21,23)
InChIKeyNHLLPHDTGYGEFP-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.41
Rot. Bonds5

About N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide (PubChem CID 50832495) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
PubChem CID50832495
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H23N3O3S2/c23-18(12-14-6-4-5-7-14)21-19-20-16-10-11-22(13-17(16)26-19)27(24,25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,21,23)
InChIKeyNHLLPHDTGYGEFP-UHFFFAOYSA-N
XLogP3.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532688
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
CID 50832388
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-chlorophenoxy)acetamide
CID 20975120
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylmethoxyacetamide
CID 50832426
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclohexanecarboxamide
CID 50832310
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 50832441
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525428
methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 16861864
1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529700
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
3-cyclopentyl-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 90532956

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide (CID 50832495) is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide?
The InChIKey is NHLLPHDTGYGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c23-18(12-14-6-4-5-7-14)21-19-20-16-10-11-22(13-17(16)26-19)27(24,25)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,20,21,23).
What are the key properties of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide?
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide has a molecular weight of 405.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 50832495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).