4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid

C13H14N2O2S — CID 80570506

IUPAC4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1CNc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-8-5-3-4-6-10(8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEAXYKMHDSABGV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.07
Rot. Bonds4

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

4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570506) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570506
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1CNc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C13H14N2O2S/c1-8-5-3-4-6-10(8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEAXYKMHDSABGV-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 4961858
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
1-[4-Methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
CID 4880438
Methyl 4-methyl-2-[(2-methylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate
CID 801958
1-[4-Methyl-2-[(4-methylphenyl)methylamino]-1,3-thiazol-5-yl]ethanone
CID 2441961
Ethyl 2-(3,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 7955004
2-{[(4-Fluorophenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149111
2-[(2-Chlorobenzyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149168
2-{[(2,4-Dichlorophenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid (5l)
CID 9149251
2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 1132751
2-{[(4-Bromophenyl)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylic acid (5d)
CID 80570494
N,N,4-trimethyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 9112296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid (CID 80570506) is 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid is Cc1ccccc1CNc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YEAXYKMHDSABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-5-3-4-6-10(8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylphenyl)methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).