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

C10H14N2O3S — CID 65200054

IUPAC2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-4-8(10(14)15)12(3)9(13)7-5-16-6(2)11-7/h5,8H,4H2,1-3H3,(H,14,15)
InChIKeyCEULEDOSMHDOOP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.39
Rot. Bonds4

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

2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid (PubChem CID 65200054) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
PubChem CID65200054
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1csc(C)n1
InChIInChI=1S/C10H14N2O3S/c1-4-8(10(14)15)12(3)9(13)7-5-16-6(2)11-7/h5,8H,4H2,1-3H3,(H,14,15)
InChIKeyCEULEDOSMHDOOP-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 65198386
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
CID 104638217
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
2-[(2-amino-2-oxoethyl)-(2-methyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 107433670
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
N-(cyanomethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199875
N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198714

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid (CID 65200054) is 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)c1csc(C)n1.
What is the InChIKey of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The InChIKey is CEULEDOSMHDOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-8(10(14)15)12(3)9(13)7-5-16-6(2)11-7/h5,8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).