N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide

C18H16ClFN4OS — CID 18101558

IUPACN-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H16ClFN4OS/c1-24(10-12-2-6-14(20)7-3-12)11-16-22-23-18(26-16)17(25)21-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyOPRVEUAGIPDLEA-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.21
Rot. Bonds6

About N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 18101558) has the molecular formula C18H16ClFN4OS and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID18101558
Molecular FormulaC18H16ClFN4OS
Molecular Weight390.87 g/mol
Exact Mass390.07
IUPAC NameN-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H16ClFN4OS/c1-24(10-12-2-6-14(20)7-3-12)11-16-22-23-18(26-16)17(25)21-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,21,25)
InChIKeyOPRVEUAGIPDLEA-UHFFFAOYSA-N
XLogP4.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide 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 N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 18101558) is N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide is CN(Cc1ccc(F)cc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OPRVEUAGIPDLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4OS/c1-24(10-12-2-6-14(20)7-3-12)11-16-22-23-18(26-16)17(25)21-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 18101558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).