2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid

C15H18N2O3S — CID 97180987

IUPAC2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1C
InChIInChI=1S/C15H18N2O3S/c1-9-7-10(5-6-11(9)20-4)14-12(8-13(18)19)21-15(16-14)17(2)3/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyXSLXTJDQKMTAIQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 97180987) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID97180987
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1C
InChIInChI=1S/C15H18N2O3S/c1-9-7-10(5-6-11(9)20-4)14-12(8-13(18)19)21-15(16-14)17(2)3/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyXSLXTJDQKMTAIQ-UHFFFAOYSA-N
XLogP2.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,4-dimethoxyphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]acetic acid
CID 97181011
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180992
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
CID 131867449
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
2-[2-(3,5-dichloroanilino)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 56695440
2-[4-(4-bromophenyl)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
CID 6450677
2-[4-(3-fluorophenyl)-2-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
CID 16660291

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 97180987) is 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XSLXTJDQKMTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-7-10(5-6-11(9)20-4)14-12(8-13(18)19)21-15(16-14)17(2)3/h5-7H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 306.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 97180987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).