5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one

C19H16ClNO3S — CID 58775887

IUPAC5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-17-12-18(22)21(25-17)13-14-6-8-16(9-7-14)19(23-10-11-24-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2
InChIKeyNNVALVGKXWODTH-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.86
Rot. Bonds4

About 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one

5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one (PubChem CID 58775887) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
PubChem CID58775887
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1Cc1ccc(C2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-17-12-18(22)21(25-17)13-14-6-8-16(9-7-14)19(23-10-11-24-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2
InChIKeyNNVALVGKXWODTH-UHFFFAOYSA-N
XLogP3.86
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one (CID 58775887) is 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one is O=c1cc(Cl)sn1Cc1ccc(C2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
The InChIKey is NNVALVGKXWODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-17-12-18(22)21(25-17)13-14-6-8-16(9-7-14)19(23-10-11-24-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2.
What are the key properties of 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one?
5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one has a molecular weight of 373.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methyl]-1,2-thiazol-3-one is sourced from PubChem (CID 58775887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).