N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide

C22H18N4OS — CID 42796243

IUPACN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C22H18N4OS/c27-22(21-16-28-25-24-21)26(15-18-5-4-12-23-13-18)14-17-8-10-20(11-9-17)19-6-2-1-3-7-19/h1-13,16H,14-15H2
InChIKeyPQQCWOXSAWBQOQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.44
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide

N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 42796243) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
PubChem CID42796243
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC NameN-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C22H18N4OS/c27-22(21-16-28-25-24-21)26(15-18-5-4-12-23-13-18)14-17-8-10-20(11-9-17)19-6-2-1-3-7-19/h1-13,16H,14-15H2
InChIKeyPQQCWOXSAWBQOQ-UHFFFAOYSA-N
XLogP4.44
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 65216045
N-benzyl-N-(2-chloroethyl)thiadiazole-4-carboxamide
CID 65216361
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
CID 42789521
N-[(1R)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 51685902
N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 102199988
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 3222562
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680
N-[(4-but-2-ynoxyphenyl)methyl]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42429960

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide (CID 42796243) is N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide is O=C(c1csnn1)N(Cc1ccc(-c2ccccc2)cc1)Cc1cccnc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is PQQCWOXSAWBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-22(21-16-28-25-24-21)26(15-18-5-4-12-23-13-18)14-17-8-10-20(11-9-17)19-6-2-1-3-7-19/h1-13,16H,14-15H2.
What are the key properties of N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide?
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 42796243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).