N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C16H22N4O2S — CID 111485207

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C16H22N4O2S/c1-11(2)4-5-16(3,22)10-19-14(21)13-9-23-15(20-13)12-8-17-6-7-18-12/h6-9,11,22H,4-5,10H2,1-3H3,(H,19,21)
InChIKeySJSNPRWAOLIXGY-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.52
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 111485207) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID111485207
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C16H22N4O2S/c1-11(2)4-5-16(3,22)10-19-14(21)13-9-23-15(20-13)12-8-17-6-7-18-12/h6-9,11,22H,4-5,10H2,1-3H3,(H,19,21)
InChIKeySJSNPRWAOLIXGY-UHFFFAOYSA-N
XLogP2.52
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
CID 75390054
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293819
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293820
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029
1-(2-hydroxy-2,5-dimethylhexyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 111450162

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 111485207) is N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1csc(-c2cnccn2)n1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SJSNPRWAOLIXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)4-5-16(3,22)10-19-14(21)13-9-23-15(20-13)12-8-17-6-7-18-12/h6-9,11,22H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111485207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).