5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

C10H14N2O3S — CID 65199563

IUPAC5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCCCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyBUPHWVQPPOBQHJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.44
Rot. Bonds6

About 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 65199563) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID65199563
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCCCCC(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyBUPHWVQPPOBQHJ-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107322343
4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 65199664
6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 39182547
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
4-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119171014
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
CID 65199713
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 65199563) is 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is Cc1nc(C(=O)NCCCCC(=O)O)cs1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is BUPHWVQPPOBQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-12-8(6-16-7)10(15)11-5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65199563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).