2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

C10H14N2O3S — CID 114899727

IUPAC2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-7(16-5-12-6)3-4-10(2,8(11)13)9(14)15/h5H,3-4H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyBEDZGKRWIGTLFK-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.96
Rot. Bonds5

About 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 114899727) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
PubChem CID114899727
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-7(16-5-12-6)3-4-10(2,8(11)13)9(14)15/h5H,3-4H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyBEDZGKRWIGTLFK-UHFFFAOYSA-N
XLogP0.96
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2-ethoxycarbonyl-2-ethyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 103974382
2-(aminomethyl)-4-(4-methyl-1,3-thiazol-5-yl)-2-phenylbutanoic acid
CID 106489403
diethyl 2-ethyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanedioate
CID 103972970
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990
ethyl 2-cyano-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoate
CID 114290119
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
(2S)-2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]propanoic acid
CID 107773421
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]propanoic acid
CID 62069952
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (CID 114899727) is 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is Cc1ncsc1CCC(C)(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is BEDZGKRWIGTLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(16-5-12-6)3-4-10(2,8(11)13)9(14)15/h5H,3-4H2,1-2H3,(H2,11,13)(H,14,15).
What are the key properties of 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 114899727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).