2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C16H24N2O3S — CID 119244970

IUPAC2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCCC1CCC(C(=O)NCc2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-3-4-11-5-7-12(8-6-11)15(19)17-9-14-18-13(10-22-14)16(20)21/h10-12H,2-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQAUGNAQDBCYMAD-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.45
Rot. Bonds7

About 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244970) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244970
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCCC1CCC(C(=O)NCc2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-3-4-11-5-7-12(8-6-11)15(19)17-9-14-18-13(10-22-14)16(20)21/h10-12H,2-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQAUGNAQDBCYMAD-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380661
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657
2-[(thiolane-3-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380845
2-[(hexylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378622
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[(1-cyclopropylbutan-2-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380956
2-[[3-(oxan-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 127597082
2-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245167
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244970) is 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CCCCC1CCC(C(=O)NCc2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QAUGNAQDBCYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-3-4-11-5-7-12(8-6-11)15(19)17-9-14-18-13(10-22-14)16(20)21/h10-12H,2-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).