4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H20N4O3S — CID 120530164

IUPAC4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2csc(-c3cnccn3)n2)(C(=O)O)CC1
InChIInChI=1S/C17H20N4O3S/c1-2-11-3-5-17(6-4-11,16(23)24)21-14(22)13-10-25-15(20-13)12-9-18-7-8-19-12/h7-11H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyJZCXNKIUHYXBOF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.75
Rot. Bonds5

About 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120530164) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120530164
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2csc(-c3cnccn3)n2)(C(=O)O)CC1
InChIInChI=1S/C17H20N4O3S/c1-2-11-3-5-17(6-4-11,16(23)24)21-14(22)13-10-25-15(20-13)12-9-18-7-8-19-12/h7-11H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyJZCXNKIUHYXBOF-UHFFFAOYSA-N
XLogP2.75
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341548
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293820
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293819
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
4-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61196284

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120530164) is 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2csc(-c3cnccn3)n2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JZCXNKIUHYXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-11-3-5-17(6-4-11,16(23)24)21-14(22)13-10-25-15(20-13)12-9-18-7-8-19-12/h7-11H,2-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).