2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one

C20H16ClN3OS2 — CID 1213294

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
SMILESCc1ccc(-c2csc(N3C(=O)CN=C3SCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H16ClN3OS2/c1-13-2-6-15(7-3-13)17-12-27-20(23-17)24-18(25)10-22-19(24)26-11-14-4-8-16(21)9-5-14/h2-9,12H,10-11H2,1H3
InChIKeyOOBDYXAOSYQCDA-UHFFFAOYSA-N
MW413.96 g/mol
LogP5.41
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one

2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one (PubChem CID 1213294) has the molecular formula C20H16ClN3OS2 and a molecular weight of 413.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
PubChem CID1213294
Molecular FormulaC20H16ClN3OS2
Molecular Weight413.96 g/mol
Exact Mass413.04
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
SMILESCc1ccc(-c2csc(N3C(=O)CN=C3SCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H16ClN3OS2/c1-13-2-6-15(7-3-13)17-12-27-20(23-17)24-18(25)10-22-19(24)26-11-14-4-8-16(21)9-5-14/h2-9,12H,10-11H2,1H3
InChIKeyOOBDYXAOSYQCDA-UHFFFAOYSA-N
XLogP5.41
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.96
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine-3,5-dione
CID 1489710
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 76685244
1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 38113238
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 11837827
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
CID 42958931
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-4H-pyrazol-3-one
CID 2869564

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one (CID 1213294) is 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one is Cc1ccc(-c2csc(N3C(=O)CN=C3SCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one?
The InChIKey is OOBDYXAOSYQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS2/c1-13-2-6-15(7-3-13)17-12-27-20(23-17)24-18(25)10-22-19(24)26-11-14-4-8-16(21)9-5-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one?
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one has a molecular weight of 413.96 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one is sourced from PubChem (CID 1213294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).