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

C17H14N6O2S — CID 131945154

IUPAC3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3cnccn3)n2)c2c(C)noc2n1
InChIInChI=1S/C17H14N6O2S/c1-9-5-12(14-10(2)23-25-16(14)21-9)15(24)20-6-11-8-26-17(22-11)13-7-18-3-4-19-13/h3-5,7-8H,6H2,1-2H3,(H,20,24)
InChIKeyVJHLEXQWKDDIFL-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.68
Rot. Bonds4

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

3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 131945154) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID131945154
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2csc(-c3cnccn3)n2)c2c(C)noc2n1
InChIInChI=1S/C17H14N6O2S/c1-9-5-12(14-10(2)23-25-16(14)21-9)15(24)20-6-11-8-26-17(22-11)13-7-18-3-4-19-13/h3-5,7-8H,6H2,1-2H3,(H,20,24)
InChIKeyVJHLEXQWKDDIFL-UHFFFAOYSA-N
XLogP2.68
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
3,6-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36751698
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 60735807
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
N-(1,3-benzothiazol-7-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 163310533
1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71895516
6-tert-butyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 91779297
N-[(4-chloro-3-methylphenyl)methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 167941876

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2csc(-c3cnccn3)n2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VJHLEXQWKDDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-9-5-12(14-10(2)23-25-16(14)21-9)15(24)20-6-11-8-26-17(22-11)13-7-18-3-4-19-13/h3-5,7-8H,6H2,1-2H3,(H,20,24).
What are the key properties of 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131945154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).