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

C13H20N2O3S — CID 75429423

IUPAC2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(CC(C)C)sc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-7(2)5-10-15-9(4)11(19-10)12(16)14-6-8(3)13(17)18/h7-8H,5-6H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyWOTOFPJRZCGDCQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.10
Rot. Bonds6

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

2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 75429423) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
PubChem CID75429423
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(CC(C)C)sc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-7(2)5-10-15-9(4)11(19-10)12(16)14-6-8(3)13(17)18/h7-8H,5-6H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyWOTOFPJRZCGDCQ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 126422555
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 56505330
4-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 91644928
2-methyl-3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoic acid
CID 106262182
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 111661448
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
5-N-[(2R)-3-amino-2-methyl-3-oxopropyl]-2-N,4-dimethyl-1,3-thiazole-2,5-dicarboxamide
CID 177229924
4-methyl-2-(2-methylpropyl)-N-(5-methylsulfonyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 56803724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 75429423) is 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is Cc1nc(CC(C)C)sc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The InChIKey is WOTOFPJRZCGDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7(2)5-10-15-9(4)11(19-10)12(16)14-6-8(3)13(17)18/h7-8H,5-6H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 75429423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).