2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid

C20H20N2O3S — CID 58791712

IUPAC2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
SMILESCOc1ccc(CNc2nc(-c3ccc(CC(=O)O)cc3)c(C)s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-19(16-7-3-14(4-8-16)11-18(23)24)22-20(26-13)21-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIIOGRZHTMHCUMN-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.37
Rot. Bonds7

About 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid

2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid (PubChem CID 58791712) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
PubChem CID58791712
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
SMILESCOc1ccc(CNc2nc(-c3ccc(CC(=O)O)cc3)c(C)s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-19(16-7-3-14(4-8-16)11-18(23)24)22-20(26-13)21-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIIOGRZHTMHCUMN-UHFFFAOYSA-N
XLogP4.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 3054245
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
CID 72706434
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765
2-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 41107811
2-[2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]acetic acid
CID 84761811
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119677238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid (CID 58791712) is 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid is COc1ccc(CNc2nc(-c3ccc(CC(=O)O)cc3)c(C)s2)cc1.
What is the InChIKey of 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid?
The InChIKey is IIOGRZHTMHCUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-19(16-7-3-14(4-8-16)11-18(23)24)22-20(26-13)21-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid?
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid is sourced from PubChem (CID 58791712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).