3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C15H16N4O2S — CID 36751698

IUPAC3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2csc(C)n2)c2c(C)noc2n1
InChIInChI=1S/C15H16N4O2S/c1-8-6-12(13-9(2)19-21-15(13)17-8)14(20)16-5-4-11-7-22-10(3)18-11/h6-7H,4-5H2,1-3H3,(H,16,20)
InChIKeyKAPKXZZEXXHYHO-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.58
Rot. Bonds4

About 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 36751698) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID36751698
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2csc(C)n2)c2c(C)noc2n1
InChIInChI=1S/C15H16N4O2S/c1-8-6-12(13-9(2)19-21-15(13)17-8)14(20)16-5-4-11-7-22-10(3)18-11/h6-7H,4-5H2,1-3H3,(H,16,20)
InChIKeyKAPKXZZEXXHYHO-UHFFFAOYSA-N
XLogP2.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 131945154
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-[2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 126833053
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040228
2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106037293
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133288

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 36751698) is 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCc2csc(C)n2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KAPKXZZEXXHYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-8-6-12(13-9(2)19-21-15(13)17-8)14(20)16-5-4-11-7-22-10(3)18-11/h6-7H,4-5H2,1-3H3,(H,16,20).
What are the key properties of 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 36751698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).