5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide

C25H20Cl3N5OS — CID 56675378

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(C)(C)c2cn3ccsc3n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34)
InChIKeyQYDGSINBIBVZNX-UHFFFAOYSA-N
MW544.90 g/mol
LogP7.18
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 56675378) has the molecular formula C25H20Cl3N5OS and a molecular weight of 544.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide
PubChem CID56675378
Molecular FormulaC25H20Cl3N5OS
Molecular Weight544.90 g/mol
Exact Mass543.05
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC(C)(C)c2cn3ccsc3n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34)
InChIKeyQYDGSINBIBVZNX-UHFFFAOYSA-N
XLogP7.18
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.90
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide (CID 56675378) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC(C)(C)c2cn3ccsc3n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is QYDGSINBIBVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 544.90 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 56675378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).