2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid

C17H14N2O2S — CID 58795522

IUPAC2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O2S/c20-16(21)10-15-11-22-17(19-15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)(H,20,21)
InChIKeyIVIYGABULKBBQO-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.18
Rot. Bonds5

About 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 58795522) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID58795522
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O2S/c20-16(21)10-15-11-22-17(19-15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)(H,20,21)
InChIKeyIVIYGABULKBBQO-UHFFFAOYSA-N
XLogP4.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
CID 113297957
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30940383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid (CID 58795522) is 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is IVIYGABULKBBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16(21)10-15-11-22-17(19-15)18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 58795522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).