2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C10H14N2O3S — CID 103790895

IUPAC2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyZBGUBRZMHLEMIF-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.24
Rot. Bonds4

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

2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 103790895) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID103790895
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)CC(C)C(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyZBGUBRZMHLEMIF-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119228296
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103885112
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96631567
2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 110835464
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
2-methyl-3-[methyl-(2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carbonyl)amino]propanoic acid
CID 122111450
(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 103790895) is 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1ncc(C(=O)N(C)CC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ZBGUBRZMHLEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103790895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).