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

C13H19N3O4S2 — CID 122158739

IUPACN-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCCOC1CC1C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1
InChIInChI=1S/C13H19N3O4S2/c1-3-20-10-6-8(10)12(17)16-5-4-9-11(7-16)21-13(14-9)15-22(2,18)19/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyQXPMXKUSCDSDNV-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.82
Rot. Bonds5

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

N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (PubChem CID 122158739) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
PubChem CID122158739
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC NameN-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCCOC1CC1C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1
InChIInChI=1S/C13H19N3O4S2/c1-3-20-10-6-8(10)12(17)16-5-4-9-11(7-16)21-13(14-9)15-22(2,18)19/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyQXPMXKUSCDSDNV-UHFFFAOYSA-N
XLogP0.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 128524025
N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 126818877
ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527771
ethyl N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788109
N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524974
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)adamantane-1-carboxamide
CID 90532413
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-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (CID 122158739) is N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is CCOC1CC1C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1.
What is the InChIKey of N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The InChIKey is QXPMXKUSCDSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c1-3-20-10-6-8(10)12(17)16-5-4-9-11(7-16)21-13(14-9)15-22(2,18)19/h8,10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 122158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).