5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid

C9H13NO2S — CID 21405586

IUPAC5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
SMILESCc1ncc(CCCCC(=O)O)s1
InChIInChI=1S/C9H13NO2S/c1-7-10-6-8(13-7)4-2-3-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyAQZAJBNYXSVFOM-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.25
Rot. Bonds5

About 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid

5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid (PubChem CID 21405586) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
PubChem CID21405586
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
SMILESCc1ncc(CCCCC(=O)O)s1
InChIInChI=1S/C9H13NO2S/c1-7-10-6-8(13-7)4-2-3-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyAQZAJBNYXSVFOM-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methyl-1,3-thiazol-5-yl)pentanoic 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

5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419
3-[(2-methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 63019605
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]acetic acid
CID 53397348
(2R)-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanedioic acid
CID 107839056
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
CID 60951190
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid?
The IUPAC name of 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid (CID 21405586) is 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid is Cc1ncc(CCCCC(=O)O)s1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid?
The InChIKey is AQZAJBNYXSVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-10-6-8(13-7)4-2-3-5-9(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid?
5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid has a molecular weight of 199.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid is sourced from PubChem (CID 21405586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).