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

C13H20N2O3S — CID 119203715

IUPAC4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1nc(C)c(C(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-5-9-14-8(2)11(19-9)12(18)15-13(3,4)7-6-10(16)17/h5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNRGSFSBVKKJGDS-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.39
Rot. Bonds6

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

4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119203715) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119203715
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCc1nc(C)c(C(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-5-9-14-8(2)11(19-9)12(18)15-13(3,4)7-6-10(16)17/h5-7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNRGSFSBVKKJGDS-UHFFFAOYSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid (CID 119203715) is 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid is CCc1nc(C)c(C(=O)NC(C)(C)CCC(=O)O)s1.
What is the InChIKey of 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is NRGSFSBVKKJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-9-14-8(2)11(19-9)12(18)15-13(3,4)7-6-10(16)17/h5-7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid?
4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119203715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).