2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid

C14H14N2O3S — CID 60831444

IUPAC2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2scnc2C)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-3-5-11(6-4-9)16(7-12(17)18)14(19)13-10(2)15-8-20-13/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyOEHRLYXMGDBQBR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid

2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid (PubChem CID 60831444) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
PubChem CID60831444
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)c2scnc2C)cc1
InChIInChI=1S/C14H14N2O3S/c1-9-3-5-11(6-4-9)16(7-12(17)18)14(19)13-10(2)15-8-20-13/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyOEHRLYXMGDBQBR-UHFFFAOYSA-N
XLogP2.49
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)propanoic acid
CID 60844375
4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 60831265
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
CID 60831784
2-[(4-methyl-1,3-thiazole-5-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274604
2-(N-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxyanilino)acetic acid
CID 60831299
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
CID 104741894
2-(N-(4,5-diphenyl-1,3-thiazole-2-carbonyl)-4-methylanilino)acetic acid
CID 170715918
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
CID 66126674
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid (CID 60831444) is 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)c2scnc2C)cc1.
What is the InChIKey of 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid?
The InChIKey is OEHRLYXMGDBQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-3-5-11(6-4-9)16(7-12(17)18)14(19)13-10(2)15-8-20-13/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid?
2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60831444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).