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

C18H14ClFN4O2S — CID 1445695

IUPACN-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN4O2S/c19-13-3-7-15(8-4-13)24(18(26)16-11-27-23-22-16)10-17(25)21-9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,25)
InChIKeyVHBAHIDOKXJLOL-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.29
Rot. Bonds6

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

N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 1445695) has the molecular formula C18H14ClFN4O2S and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID1445695
Molecular FormulaC18H14ClFN4O2S
Molecular Weight404.85 g/mol
Exact Mass404.05
IUPAC NameN-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN4O2S/c19-13-3-7-15(8-4-13)24(18(26)16-11-27-23-22-16)10-17(25)21-9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,25)
InChIKeyVHBAHIDOKXJLOL-UHFFFAOYSA-N
XLogP3.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814722
N-(3-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814721
N-[[4-(4-chlorophenoxy)phenyl]methyl]thiadiazole-4-carboxamide
CID 73254131
N-(2,4-dichlorophenyl)-N-[(1S)-2-[(4-fluorophenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 98111654
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-[2-(benzylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221752
N-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24792271
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1449926
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide (CID 1445695) is N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is VHBAHIDOKXJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S/c19-13-3-7-15(8-4-13)24(18(26)16-11-27-23-22-16)10-17(25)21-9-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide?
N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1445695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).