5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide

C12H14N4O4S2 — CID 71788198

IUPAC5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(C)(=O)=O)CC3)no1
InChIInChI=1S/C12H14N4O4S2/c1-7-5-9(15-20-7)11(17)14-12-13-8-3-4-16(22(2,18)19)6-10(8)21-12/h5H,3-4,6H2,1-2H3,(H,13,14,17)
InChIKeyCZHAKUCYLRYWGB-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71788198) has the molecular formula C12H14N4O4S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71788198
Molecular FormulaC12H14N4O4S2
Molecular Weight342.40 g/mol
Exact Mass342.05
IUPAC Name5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(C)(=O)=O)CC3)no1
InChIInChI=1S/C12H14N4O4S2/c1-7-5-9(15-20-7)11(17)14-12-13-8-3-4-16(22(2,18)19)6-10(8)21-12/h5H,3-4,6H2,1-2H3,(H,13,14,17)
InChIKeyCZHAKUCYLRYWGB-UHFFFAOYSA-N
XLogP1.01
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (CID 71788198) is 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(S(C)(=O)=O)CC3)no1.
What is the InChIKey of 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is CZHAKUCYLRYWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S2/c1-7-5-9(15-20-7)11(17)14-12-13-8-3-4-16(22(2,18)19)6-10(8)21-12/h5H,3-4,6H2,1-2H3,(H,13,14,17).
What are the key properties of 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).