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

C16H14N2O2S2 — CID 71579826

IUPAC2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ncc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-17-9-12(21-10)7-14-18-16(11-5-3-2-4-6-11)13(22-14)8-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyWLYIZXOGPZGASW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.79
Rot. Bonds5

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

2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 71579826) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID71579826
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ncc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-17-9-12(21-10)7-14-18-16(11-5-3-2-4-6-11)13(22-14)8-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyWLYIZXOGPZGASW-UHFFFAOYSA-N
XLogP3.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-fluoropyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229845
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
2-[2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 723168
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
CID 16118987
(2-Methyl-4-p-tolyl-thiazol-5-yl)-acetic acid
CID 2231549
2-(4-Phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic Acid
CID 2118147
2-[4-(4-Bromophenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 2363696
2-(4-(4-Fluorophenyl)-2-phenylthiazol-5-yl)acetic acid
CID 39453523

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 71579826) is 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cc1ncc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)s1.
What is the InChIKey of 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is WLYIZXOGPZGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10-17-9-12(21-10)7-14-18-16(11-5-3-2-4-6-11)13(22-14)8-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 330.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 71579826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).