N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C18H17N3OS2 — CID 41487995

IUPACN-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCN(C(=O)CSc1nncs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS2/c1-21(16(22)12-23-18-20-19-13-24-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyVXGVZBJCYCKABE-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.88
Rot. Bonds6

About N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 41487995) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID41487995
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCN(C(=O)CSc1nncs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS2/c1-21(16(22)12-23-18-20-19-13-24-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyVXGVZBJCYCKABE-UHFFFAOYSA-N
XLogP3.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-methylacetamide
CID 112777620
2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-benzhydryl-N-methylacetamide
CID 32669466
N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 35795719
N-benzhydryl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 24574107
N-benzhydryl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17480949
N-benzhydryl-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 35794693
N-benzhydryl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 46543156
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413965
N-benzhydryl-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 30407365
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 17402160
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 41487995) is N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CN(C(=O)CSc1nncs1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is VXGVZBJCYCKABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-21(16(22)12-23-18-20-19-13-24-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3.
What are the key properties of N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 41487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).