N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

C21H18ClFN4O2S — CID 3222346

IUPACN-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C21H18ClFN4O2S/c22-15-5-3-14(4-6-15)19(20(28)24-11-13-1-7-16(23)8-2-13)27(17-9-10-17)21(29)18-12-30-26-25-18/h1-8,12,17,19H,9-11H2,(H,24,28)
InChIKeyCCIDBWVNSZDSTG-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.99
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 3222346) has the molecular formula C21H18ClFN4O2S and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID3222346
Molecular FormulaC21H18ClFN4O2S
Molecular Weight444.92 g/mol
Exact Mass444.08
IUPAC NameN-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C21H18ClFN4O2S/c22-15-5-3-14(4-6-15)19(20(28)24-11-13-1-7-16(23)8-2-13)27(17-9-10-17)21(29)18-12-30-26-25-18/h1-8,12,17,19H,9-11H2,(H,24,28)
InChIKeyCCIDBWVNSZDSTG-UHFFFAOYSA-N
XLogP3.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide 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

[1,2,3]Thiadiazole-4-carboxylic acid (tert-butylcarbamoyl-p-tolyl-methyl)-cyclopropyl-amide
CID 3219449
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(4-isopropyl-phenyl)-methyl]-cyclopropyl-amide
CID 3222380
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 3222346) is N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)C(c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is CCIDBWVNSZDSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2S/c22-15-5-3-14(4-6-15)19(20(28)24-11-13-1-7-16(23)8-2-13)27(17-9-10-17)21(29)18-12-30-26-25-18/h1-8,12,17,19H,9-11H2,(H,24,28).
What are the key properties of N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 3222346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).