2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid

C14H21N3O3S — CID 64700291

IUPAC2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
SMILESCc1csc(CNC(=O)NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)8-15-13(20)17-14(7-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyUXBRUKGGWDQEHN-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid

2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid (PubChem CID 64700291) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
PubChem CID64700291
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
SMILESCc1csc(CNC(=O)NC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)8-15-13(20)17-14(7-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyUXBRUKGGWDQEHN-UHFFFAOYSA-N
XLogP2.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic 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-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 64699566
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 106374503
3-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 64700096
2-[1-(thiophen-3-ylmethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700143
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 76921463
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 63131523
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64701883
2-[[[2-[1-(methylamino)cyclohexyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381478

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid (CID 64700291) is 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid is Cc1csc(CNC(=O)NC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
The InChIKey is UXBRUKGGWDQEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-9-21-11(16-10)8-15-13(20)17-14(7-12(18)19)5-3-2-4-6-14/h9H,2-8H2,1H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid?
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid has a molecular weight of 311.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).