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

C10H14N2O3S — CID 64673287

IUPAC3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncsc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-8(16-5-11-6)9(15)12-10(2,3)4-7(13)14/h5H,4H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyGPNKCXAHLOPSEB-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.43
Rot. Bonds4

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

3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 64673287) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID64673287
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncsc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-8(16-5-11-6)9(15)12-10(2,3)4-7(13)14/h5H,4H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyGPNKCXAHLOPSEB-UHFFFAOYSA-N
XLogP1.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64555805
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61119636
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 64702479
N-(1-bromo-3-methylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 106169527
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168769
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 82813726
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75498491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (CID 64673287) is 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is Cc1ncsc1C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is GPNKCXAHLOPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-8(16-5-11-6)9(15)12-10(2,3)4-7(13)14/h5H,4H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64673287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).