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

C12H17N3O3S2 — CID 128524025

IUPACN-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2c(s1)CN(C(=O)CC1CC1)CC2
InChIInChI=1S/C12H17N3O3S2/c1-20(17,18)14-12-13-9-4-5-15(7-10(9)19-12)11(16)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyJWDMLMYIHGWVCV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.20
Rot. Bonds4

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

N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (PubChem CID 128524025) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
PubChem CID128524025
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2c(s1)CN(C(=O)CC1CC1)CC2
InChIInChI=1S/C12H17N3O3S2/c1-20(17,18)14-12-13-9-4-5-15(7-10(9)19-12)11(16)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyJWDMLMYIHGWVCV-UHFFFAOYSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 126818877
1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
CID 170947205
N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 122158739
1-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529300
N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527367
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
2-(oxan-4-yl)-1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 71713322
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-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525591
N-[5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525605
N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524974
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (CID 128524025) is N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)CC1CC1)CC2.
What is the InChIKey of N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The InChIKey is JWDMLMYIHGWVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-20(17,18)14-12-13-9-4-5-15(7-10(9)19-12)11(16)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 128524025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).