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

C13H20N2O3S — CID 119199794

IUPAC2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCCCc1nc(C)c(C(=O)NC(C)(CC)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-5-7-9-14-8(3)10(19-9)11(16)15-13(4,6-2)12(17)18/h5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGNMJAVVKWJSQEC-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.39
Rot. Bonds6

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

2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 119199794) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID119199794
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCCCc1nc(C)c(C(=O)NC(C)(CC)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-5-7-9-14-8(3)10(19-9)11(16)15-13(4,6-2)12(17)18/h5-7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyGNMJAVVKWJSQEC-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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Related Compounds

2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-methylpentanoic acid
CID 119192094
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119203715
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119219168
N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55823968
3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207759
N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386499
4-methyl-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 86938357
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542951
1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
CID 82438513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (CID 119199794) is 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is CCCc1nc(C)c(C(=O)NC(C)(CC)C(=O)O)s1.
What is the InChIKey of 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is GNMJAVVKWJSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-7-9-14-8(3)10(19-9)11(16)15-13(4,6-2)12(17)18/h5-7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic 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 2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).