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

C11H16N2O3S — CID 43630699

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-5-8(11(15)16)13-10(14)9-6(2)12-7(3)17-9/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyKWDGZAJLDCGCQY-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.74
Rot. Bonds5

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

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 43630699) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID43630699
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1sc(C)nc1C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-5-8(11(15)16)13-10(14)9-6(2)12-7(3)17-9/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyKWDGZAJLDCGCQY-UHFFFAOYSA-N
XLogP1.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81076692
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 112734821
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 65054987
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 167936797
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 43630699) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1sc(C)nc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is KWDGZAJLDCGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-5-8(11(15)16)13-10(14)9-6(2)12-7(3)17-9/h8H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).