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

C10H14N2O3S — CID 81064431

IUPAC3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncsc1C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6(3-8(13)14)4-11-10(15)9-7(2)12-5-16-9/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQIOOHEONPIJDGL-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.29
Rot. Bonds5

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

3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 81064431) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID81064431
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCc1ncsc1C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6(3-8(13)14)4-11-10(15)9-7(2)12-5-16-9/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQIOOHEONPIJDGL-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62092045
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
3-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 64673287
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (CID 81064431) is 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is Cc1ncsc1C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is QIOOHEONPIJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(3-8(13)14)4-11-10(15)9-7(2)12-5-16-9/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 81064431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).