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

C18H16N2O2S — CID 4020783

IUPAC2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-7-9-14(10-8-12)19-18-20-17(13-5-3-2-4-6-13)15(23-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTWYNVZAEAJJPV-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.49
Rot. Bonds5

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

2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 4020783) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID4020783
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-7-9-14(10-8-12)19-18-20-17(13-5-3-2-4-6-13)15(23-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTWYNVZAEAJJPV-UHFFFAOYSA-N
XLogP4.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Diphenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660132
2-(2-((4-Cyanophenyl)(phenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660133
2-(2-(Bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660288
2-(2-(Diphenylamino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660289
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
2-(2-Amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 291865
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
[2-Amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 16462824
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 4020783) is 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NTWYNVZAEAJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-7-9-14(10-8-12)19-18-20-17(13-5-3-2-4-6-13)15(23-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 324.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 4020783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).