2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid

C17H13NO2S2 — CID 54440885

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H13NO2S2/c19-14(20)11-21-17-18-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyWNZUQBJBXQKMFD-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.65
Rot. Bonds5

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

2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid (PubChem CID 54440885) has the molecular formula C17H13NO2S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
PubChem CID54440885
Molecular FormulaC17H13NO2S2
Molecular Weight327.43 g/mol
Exact Mass327.04
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H13NO2S2/c19-14(20)11-21-17-18-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyWNZUQBJBXQKMFD-UHFFFAOYSA-N
XLogP4.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid (CID 54440885) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is WNZUQBJBXQKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S2/c19-14(20)11-21-17-18-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20).
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 327.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 54440885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).