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

C11H12N4O2S — CID 43593213

IUPAC5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CNCC3)no1
InChIInChI=1S/C11H12N4O2S/c1-6-4-8(15-17-6)10(16)14-11-13-7-2-3-12-5-9(7)18-11/h4,12H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyWADDEDCVBQJPJA-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.34
Rot. Bonds2

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

5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 43593213) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID43593213
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CNCC3)no1
InChIInChI=1S/C11H12N4O2S/c1-6-4-8(15-17-6)10(16)14-11-13-7-2-3-12-5-9(7)18-11/h4,12H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyWADDEDCVBQJPJA-UHFFFAOYSA-N
XLogP1.34
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (CID 43593213) is 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CNCC3)no1.
What is the InChIKey of 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WADDEDCVBQJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-4-8(15-17-6)10(16)14-11-13-7-2-3-12-5-9(7)18-11/h4,12H,2-3,5H2,1H3,(H,13,14,16).
What are the key properties of 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43593213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).