N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide

C22H17N3OS — CID 42789521

IUPACN-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(Cc1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17N3OS/c26-22(21-16-27-24-23-21)25(15-17-8-3-1-4-9-17)20-13-7-12-19(14-20)18-10-5-2-6-11-18/h1-14,16H,15H2
InChIKeyKUUHBCJWFLOZPN-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide

N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide (PubChem CID 42789521) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
PubChem CID42789521
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(Cc1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17N3OS/c26-22(21-16-27-24-23-21)25(15-17-8-3-1-4-9-17)20-13-7-12-19(14-20)18-10-5-2-6-11-18/h1-14,16H,15H2
InChIKeyKUUHBCJWFLOZPN-UHFFFAOYSA-N
XLogP5.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
N-(3-acetylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24793351
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-benzyl-N-(2-chloroethyl)thiadiazole-4-carboxamide
CID 65216361
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
N-(3-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814721
N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 5017979
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
4-[2-hydroxyethyl(thiadiazole-4-carbonyl)amino]benzoic acid
CID 65214077

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide (CID 42789521) is N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide is O=C(c1csnn1)N(Cc1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide?
The InChIKey is KUUHBCJWFLOZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-22(21-16-27-24-23-21)25(15-17-8-3-1-4-9-17)20-13-7-12-19(14-20)18-10-5-2-6-11-18/h1-14,16H,15H2.
What are the key properties of N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide?
N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 42789521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).