5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide

C18H17N3OS — CID 56731044

IUPAC5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-13-7-9-15(10-8-13)17-16(20-21-23-17)18(22)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZVSKOOFNNMTHRM-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.49
Rot. Bonds5

About 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide

5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide (PubChem CID 56731044) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
PubChem CID56731044
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-13-7-9-15(10-8-13)17-16(20-21-23-17)18(22)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZVSKOOFNNMTHRM-UHFFFAOYSA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
CID 71688702
N-benzyl-5-phenylthiadiazole-4-carboxamide
CID 71688687
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
CID 71689865
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 1412788

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide (CID 56731044) is 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide is Cc1ccc(-c2snnc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide?
The InChIKey is ZVSKOOFNNMTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-7-9-15(10-8-13)17-16(20-21-23-17)18(22)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide?
5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 56731044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).