2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C16H25N3O3S2 — CID 90532688

IUPAC2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)CC3CCCC3)sc2C1
InChIInChI=1S/C16H25N3O3S2/c1-11(2)24(21,22)19-8-7-13-14(10-19)23-16(17-13)18-15(20)9-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyUDSIVKSPNIUTOY-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds5

About 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 90532688) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID90532688
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(C)S(=O)(=O)N1CCc2nc(NC(=O)CC3CCCC3)sc2C1
InChIInChI=1S/C16H25N3O3S2/c1-11(2)24(21,22)19-8-7-13-14(10-19)23-16(17-13)18-15(20)9-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyUDSIVKSPNIUTOY-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
3-cyclopentyl-N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]propanamide
CID 90532956
2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532637
1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
CID 90532772
2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532812
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 92634184
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532632
4-cyano-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 90532688) is 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)CC3CCCC3)sc2C1.
What is the InChIKey of 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is UDSIVKSPNIUTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-11(2)24(21,22)19-8-7-13-14(10-19)23-16(17-13)18-15(20)9-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 90532688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).