5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid

C11H17N3O3S — CID 82848501

IUPAC5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1nccs1
InChIInChI=1S/C11H17N3O3S/c1-8(3-2-4-10(15)16)14-11(17)13-7-9-12-5-6-18-9/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRCFLSWXPWDYOQD-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.59
Rot. Bonds7

About 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid

5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid (PubChem CID 82848501) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
PubChem CID82848501
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1nccs1
InChIInChI=1S/C11H17N3O3S/c1-8(3-2-4-10(15)16)14-11(17)13-7-9-12-5-6-18-9/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRCFLSWXPWDYOQD-UHFFFAOYSA-N
XLogP1.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic 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

(2R)-2-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanedioic acid
CID 107839059
5-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 114128702
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 82848106
(2S)-3-methyl-2-(1,3-thiazol-2-ylmethylcarbamoylamino)butanoic acid
CID 54963020
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
5-[(3-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 82848910
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid (CID 82848501) is 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NCc1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid?
The InChIKey is RCFLSWXPWDYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(3-2-4-10(15)16)14-11(17)13-7-9-12-5-6-18-9/h5-6,8H,2-4,7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid?
5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82848501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).