2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide

C13H16N4O2S — CID 136513774

IUPAC2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ccnc(NC(=O)c2csc(C(C)(C)C)n2)c1=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)12-15-8(7-20-12)10(18)16-9-11(19)17(4)6-5-14-9/h5-7H,1-4H3,(H,14,16,18)
InChIKeyRXZCWADDUMDFQW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.79
Rot. Bonds2

About 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide

2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 136513774) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID136513774
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ccnc(NC(=O)c2csc(C(C)(C)C)n2)c1=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)12-15-8(7-20-12)10(18)16-9-11(19)17(4)6-5-14-9/h5-7H,1-4H3,(H,14,16,18)
InChIKeyRXZCWADDUMDFQW-UHFFFAOYSA-N
XLogP1.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110474080
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
N-(4-methyl-3-oxopyrazin-2-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 71857660
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356
4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
CID 167849671
2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 158318774
6-(3-chloro-5-fluorophenyl)-N-(4-methyl-3-oxopyrazin-2-yl)pyrimidine-4-carboxamide
CID 162772492
4-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119171014
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
CID 75449837
N-(5-amino-6-chloro-3-pyridinyl)-2-tert-butyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170311651
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide (CID 136513774) is 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide is Cn1ccnc(NC(=O)c2csc(C(C)(C)C)n2)c1=O.
What is the InChIKey of 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RXZCWADDUMDFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,3)12-15-8(7-20-12)10(18)16-9-11(19)17(4)6-5-14-9/h5-7H,1-4H3,(H,14,16,18).
What are the key properties of 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide?
2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136513774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).