4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide

C17H14ClN3OS — CID 133200533

IUPAC4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
SMILESCC(NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11(12-5-3-2-4-6-12)19-17(22)16-15(20-21-23-16)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyGKTLFSKEWOTJFS-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.35
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide

4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide (PubChem CID 133200533) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
PubChem CID133200533
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
SMILESCC(NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11(12-5-3-2-4-6-12)19-17(22)16-15(20-21-23-16)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyGKTLFSKEWOTJFS-UHFFFAOYSA-N
XLogP4.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
CID 70245298
3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
CID 70903593
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767937

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide (CID 133200533) is 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide is CC(NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The InChIKey is GKTLFSKEWOTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11(12-5-3-2-4-6-12)19-17(22)16-15(20-21-23-16)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22).
What are the key properties of 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide?
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 133200533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).