1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

C11H14N4O3S2 — CID 43593469

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2nc3c(s2)CNCC3)no1
InChIInChI=1S/C11H14N4O3S2/c1-7-4-8(14-18-7)6-20(16,17)15-11-13-9-2-3-12-5-10(9)19-11/h4,12H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyBFYUFRXZQXERAZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.03
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide

1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (PubChem CID 43593469) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
PubChem CID43593469
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2nc3c(s2)CNCC3)no1
InChIInChI=1S/C11H14N4O3S2/c1-7-4-8(14-18-7)6-20(16,17)15-11-13-9-2-3-12-5-10(9)19-11/h4,12H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyBFYUFRXZQXERAZ-UHFFFAOYSA-N
XLogP1.03
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 75388415
Ethyl (5-((3,5-dimethylisoxazol-4-yl)sulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbamate
CID 71788120
5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 43593213
N-(5-((3,5-dimethylisoxazol-4-yl)sulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 56765057
5-methyl-N-(5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)isoxazole-3-carboxamide
CID 71788198
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4301191
3,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-4-sulfonamide
CID 28274723
5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505377
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-5-carboxamide
CID 43593207
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 49723991
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 49723992
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812776

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (CID 43593469) is 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2nc3c(s2)CNCC3)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The InChIKey is BFYUFRXZQXERAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-7-4-8(14-18-7)6-20(16,17)15-11-13-9-2-3-12-5-10(9)19-11/h4,12H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is sourced from PubChem (CID 43593469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).