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

C12H18N2O3S — CID 43091777

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1nc(C)c(C(=O)NC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-6(2)5-9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyQWFNZSJLRUSZPL-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.99
Rot. Bonds5

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

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 43091777) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID43091777
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1nc(C)c(C(=O)NC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C12H18N2O3S/c1-6(2)5-9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyQWFNZSJLRUSZPL-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-(2-((S)-1-((tert-Butoxycarbonyl)amino)-3-methylbutyl)-4-methylthiazole-5-carboxamido)-5-guanidinopentanoic acid
CID 71768013
2-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 71915659
1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94029587
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
2-[[4-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557901
4-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557966
2-[[4-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 84558017
3-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84558174
3-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 84558358
2-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 121642468
4,4,4-Trifluoro-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121877657

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid (CID 43091777) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid is Cc1nc(C)c(C(=O)NC(CC(C)C)C(=O)O)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is QWFNZSJLRUSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6(2)5-9(12(16)17)14-11(15)10-7(3)13-8(4)18-10/h6,9H,5H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.99, 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]-4-methylpentanoic acid is sourced from PubChem (CID 43091777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).