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

C16H14N2O2S2 — CID 71579916

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1csc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)n1
InChIInChI=1S/C16H14N2O2S2/c1-10-9-21-13(17-10)8-14-18-16(11-5-3-2-4-6-11)12(22-14)7-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyGWVKTJDERSCKHH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.79
Rot. Bonds5

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

2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 71579916) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID71579916
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1csc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)n1
InChIInChI=1S/C16H14N2O2S2/c1-10-9-21-13(17-10)8-14-18-16(11-5-3-2-4-6-11)12(22-14)7-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyGWVKTJDERSCKHH-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 71579916) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cc1csc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GWVKTJDERSCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10-9-21-13(17-10)8-14-18-16(11-5-3-2-4-6-11)12(22-14)7-15(19)20/h2-6,9H,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 71579916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).