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

C12H12N2O3S2 — CID 122111081

IUPAC5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-10(18-7(2)14-6)11(15)13-5-8-3-4-9(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFTGZOHOGLANNKX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds4

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

5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122111081) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122111081
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)NCc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-10(18-7(2)14-6)11(15)13-5-8-3-4-9(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFTGZOHOGLANNKX-UHFFFAOYSA-N
XLogP2.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474325
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
5-[(methylcarbamoylamino)methyl]thiophene-2-carboxylic acid
CID 84680344
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 30989456
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid (CID 122111081) is 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid is Cc1nc(C)c(C(=O)NCc2ccc(C(=O)O)s2)s1.
What is the InChIKey of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is FTGZOHOGLANNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-10(18-7(2)14-6)11(15)13-5-8-3-4-9(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122111081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).