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

C14H22N2O3S — CID 119253199

IUPAC4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1csc(C(C)C)n1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-8(2)5-10(14(18)19)6-15-12(17)11-7-20-13(16-11)9(3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyRCCURUYAXGXDBD-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.74
Rot. Bonds7

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

4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid (PubChem CID 119253199) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
PubChem CID119253199
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1csc(C(C)C)n1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-8(2)5-10(14(18)19)6-15-12(17)11-7-20-13(16-11)9(3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyRCCURUYAXGXDBD-UHFFFAOYSA-N
XLogP2.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
2-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 122108015
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253768
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid (CID 119253199) is 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1csc(C(C)C)n1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is RCCURUYAXGXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8(2)5-10(14(18)19)6-15-12(17)11-7-20-13(16-11)9(3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid?
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 298.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 119253199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).