4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide

C18H17N3OS — CID 100748542

IUPAC4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)11-19-18(22)17-16(20-21-23-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyCRGDRZBQOOEWGB-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.75
Rot. Bonds4

About 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide

4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide (PubChem CID 100748542) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
PubChem CID100748542
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)11-19-18(22)17-16(20-21-23-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyCRGDRZBQOOEWGB-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906101
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide (CID 100748542) is 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide is Cc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is CRGDRZBQOOEWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)11-19-18(22)17-16(20-21-23-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide?
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100748542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).