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

C12H12N2O3S2 — CID 63628129

IUPAC4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1C(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-4-18-9(6)11(15)13-5-8-14-7(2)10(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySTHIAXKXDDLFAJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds4

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

4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63628129) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63628129
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccsc1C(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-4-18-9(6)11(15)13-5-8-14-7(2)10(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySTHIAXKXDDLFAJ-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-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103400121
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114030962
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629822
2-[[(2,5-dihydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107721667
2-[[(6-fluoropyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 115496429
2-[[(5-chlorofuran-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628637
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[[(6-chloropyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628992
2-[[(3-aminobenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63628129) is 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1ccsc1C(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is STHIAXKXDDLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-3-4-18-9(6)11(15)13-5-8-14-7(2)10(19-8)12(16)17/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-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 4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).