N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide

C23H19N3OS — CID 100749195

IUPACN-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(-c2nnsc2C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21-22(28-26-25-21)23(27)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,27)
InChIKeyUIVAOWWCCWJRTP-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.03
Rot. Bonds5

About N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide

N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 100749195) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID100749195
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(-c2nnsc2C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21-22(28-26-25-21)23(27)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,27)
InChIKeyUIVAOWWCCWJRTP-UHFFFAOYSA-N
XLogP5.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
methyl (2R)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate
CID 71844012
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide (CID 100749195) is N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide is Cc1ccc(-c2nnsc2C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is UIVAOWWCCWJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-16-12-14-19(15-13-16)21-22(28-26-25-21)23(27)24-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,24,27).
What are the key properties of N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide?
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100749195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).