1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C12H17N3O3S — CID 55260669

IUPAC1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1cscn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)12(4-2-1-3-5-12)15-11(18)13-6-9-7-19-8-14-9/h7-8H,1-6H2,(H,16,17)(H2,13,15,18)
InChIKeyPHJMRJPLUISLIQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.73
Rot. Bonds4

About 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 55260669) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID55260669
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1cscn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)12(4-2-1-3-5-12)15-11(18)13-6-9-7-19-8-14-9/h7-8H,1-6H2,(H,16,17)(H2,13,15,18)
InChIKeyPHJMRJPLUISLIQ-UHFFFAOYSA-N
XLogP1.73
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Thiazole-4-carbonylamino)heptanoic acid
CID 67268591
(2S,3S)-3-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]hexanoic acid
CID 67406592
2-Methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid
CID 43619557
2-Methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55011748
2-[[Methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55011749
(2S,3S)-3-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55011894
(2S)-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55011943
(2S)-3-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55012037
6-[[Methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]hexanoic acid
CID 55012227
4-Methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55012275
3-Methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 55012369
1-[[Methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55012416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 55260669) is 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCc1cscn1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PHJMRJPLUISLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-10(17)12(4-2-1-3-5-12)15-11(18)13-6-9-7-19-8-14-9/h7-8H,1-6H2,(H,16,17)(H2,13,15,18).
What are the key properties of 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55260669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).