2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C8H10N2O3S — CID 18073177

IUPAC2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncsc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-4-6(14-3-9-4)7(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyJXIDDCGUVLUUKG-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.65
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 18073177) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID18073177
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncsc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-4-6(14-3-9-4)7(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyJXIDDCGUVLUUKG-UHFFFAOYSA-N
XLogP0.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
Methyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 43608055
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
Ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257312
tert-butyl N-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]carbamate
CID 47453269
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71850127
4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 45823446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 18073177) is 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1ncsc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JXIDDCGUVLUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4-6(14-3-9-4)7(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 18073177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).