3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid

C14H14N2O4S — CID 60870314

IUPAC3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)COCc2ccccc2)c1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-9-12(14(18)19)13(21-16-9)15-11(17)8-20-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyWMYLRMQTYHBQFU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.31
Rot. Bonds6

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

3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 60870314) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID60870314
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)COCc2ccccc2)c1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-9-12(14(18)19)13(21-16-9)15-11(17)8-20-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyWMYLRMQTYHBQFU-UHFFFAOYSA-N
XLogP2.31
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869760
5-[[2-(2-fluorophenyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60871549
3-methyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylic acid
CID 79402917
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
ethyl 4-ethyl-5-methyl-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 55360356
3-methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
3-methyl-5-[[3-(methylsulfanylmethyl)benzoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60870323
3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60868636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid (CID 60870314) is 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)COCc2ccccc2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is WMYLRMQTYHBQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-12(14(18)19)13(21-16-9)15-11(17)8-20-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-phenylmethoxyacetyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60870314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).