2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid

C7H10N2O2S — CID 43468858

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCc1csc(NC(C)C(=O)O)n1
InChIInChI=1S/C7H10N2O2S/c1-4-3-12-7(8-4)9-5(2)6(10)11/h3,5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyKBSQOUBWSOTEEC-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.34
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid

2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid (PubChem CID 43468858) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
PubChem CID43468858
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
SMILESCc1csc(NC(C)C(=O)O)n1
InChIInChI=1S/C7H10N2O2S/c1-4-3-12-7(8-4)9-5(2)6(10)11/h3,5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyKBSQOUBWSOTEEC-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclopropylamino)-1,3-thiazole-4-carboxylic acid
CID 45494574
2-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 22250124
2-(Methylamino)-1,3-thiazole-4-carboxylic acid
CID 45032346
2-(Allylamino)thiazole-4-carboxylic acid
CID 2090946
2-(Isopropylamino)-1,3-thiazole-4-carboxylic acid
CID 11953490
2-[(4-Methyl-1,3-thiazol-2-yl)amino]acetic acid
CID 24710032
2-(Isobutylamino)-1,3-thiazole-4-carboxylic acid
CID 5019946
2-(Propan-2-ylamino)-1,3-thiazol-3-ium-4-carboxylic acid
CID 134855141
2-[(4-Methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257830
2-[[2-[(4-Methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258183
3,3,3-Trifluoro-2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 79789920
2-[(4-Ethyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798285

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid (CID 43468858) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid is Cc1csc(NC(C)C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid?
The InChIKey is KBSQOUBWSOTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-3-12-7(8-4)9-5(2)6(10)11/h3,5H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid?
2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.34, 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-thiazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 43468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).