6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C22H18ClFN4OS2 — CID 19614206

IUPAC6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4nn(Cc5ccc(F)cc5)cc4Cl)C(=S)N32)cc1
InChIInChI=1S/C22H18ClFN4OS2/c1-13-2-6-15(7-3-13)21-27-18(12-31-21)20(29)28(22(27)30)19-17(23)11-26(25-19)10-14-4-8-16(24)9-5-14/h2-9,11,18,21H,10,12H2,1H3
InChIKeyINYMOTGZPITZJB-UHFFFAOYSA-N
MW473.00 g/mol
LogP4.78
Rot. Bonds4

About 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 19614206) has the molecular formula C22H18ClFN4OS2 and a molecular weight of 473.00 g/mol. Its IUPAC name is 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID19614206
Molecular FormulaC22H18ClFN4OS2
Molecular Weight473.00 g/mol
Exact Mass472.06
IUPAC Name6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4nn(Cc5ccc(F)cc5)cc4Cl)C(=S)N32)cc1
InChIInChI=1S/C22H18ClFN4OS2/c1-13-2-6-15(7-3-13)21-27-18(12-31-21)20(29)28(22(27)30)19-17(23)11-26(25-19)10-14-4-8-16(24)9-5-14/h2-9,11,18,21H,10,12H2,1H3
InChIKeyINYMOTGZPITZJB-UHFFFAOYSA-N
XLogP4.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-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 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 19614206) is 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is Cc1ccc(C2SCC3C(=O)N(c4nn(Cc5ccc(F)cc5)cc4Cl)C(=S)N32)cc1.
What is the InChIKey of 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is INYMOTGZPITZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4OS2/c1-13-2-6-15(7-3-13)21-27-18(12-31-21)20(29)28(22(27)30)19-17(23)11-26(25-19)10-14-4-8-16(24)9-5-14/h2-9,11,18,21H,10,12H2,1H3.
What are the key properties of 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 473.00 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 19614206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).