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

C11H16N2O3S — CID 82684188

IUPAC4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCC(C)CCC(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(3-4-10(14)15)5-12-11(16)9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZEWPHXRGUYQVJH-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.68
Rot. Bonds6

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

4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 82684188) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID82684188
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCc1nc(C(=O)NCC(C)CCC(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-7(3-4-10(14)15)5-12-11(16)9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZEWPHXRGUYQVJH-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
4-methyl-6-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 65199664
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
CID 65199713
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-(4-bromo-2-ethylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114317795
5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009834

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 82684188) is 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is Cc1nc(C(=O)NCC(C)CCC(=O)O)cs1.
What is the InChIKey of 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is ZEWPHXRGUYQVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(3-4-10(14)15)5-12-11(16)9-6-17-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82684188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).