N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

C19H16ClFN4O2S — CID 24793344

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C19H16ClFN4O2S/c20-15-10-14(6-7-16(15)21)25(19(27)17-12-28-24-23-17)11-18(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,22,26)
InChIKeyAHSOKBCPAJMKGQ-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.34
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 24793344) has the molecular formula C19H16ClFN4O2S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID24793344
Molecular FormulaC19H16ClFN4O2S
Molecular Weight418.88 g/mol
Exact Mass418.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C19H16ClFN4O2S/c20-15-10-14(6-7-16(15)21)25(19(27)17-12-28-24-23-17)11-18(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,22,26)
InChIKeyAHSOKBCPAJMKGQ-UHFFFAOYSA-N
XLogP3.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 24793344) is N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NCCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is AHSOKBCPAJMKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2S/c20-15-10-14(6-7-16(15)21)25(19(27)17-12-28-24-23-17)11-18(26)22-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).