2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid

C20H18N2O4S — CID 28864610

IUPAC2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccc(OCC(=O)O)cc2)c(C)s1
InChIInChI=1S/C20H18N2O4S/c1-12-5-3-4-6-16(12)19(25)22-20-21-18(13(2)27-20)14-7-9-15(10-8-14)26-11-17(23)24/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyTXMRFIYEFXOLAY-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.14
Rot. Bonds6

About 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid

2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 28864610) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID28864610
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCc1ccccc1C(=O)Nc1nc(-c2ccc(OCC(=O)O)cc2)c(C)s1
InChIInChI=1S/C20H18N2O4S/c1-12-5-3-4-6-16(12)19(25)22-20-21-18(13(2)27-20)14-7-9-15(10-8-14)26-11-17(23)24/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyTXMRFIYEFXOLAY-UHFFFAOYSA-N
XLogP4.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-nitrobenzamide
CID 7916016
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 24524419
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 28864610) is 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid is Cc1ccccc1C(=O)Nc1nc(-c2ccc(OCC(=O)O)cc2)c(C)s1.
What is the InChIKey of 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is TXMRFIYEFXOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-12-5-3-4-6-16(12)19(25)22-20-21-18(13(2)27-20)14-7-9-15(10-8-14)26-11-17(23)24/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 382.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 28864610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).