1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide

C21H22N4O2S — CID 53369995

IUPAC1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)s1
InChIInChI=1S/C21H22N4O2S/c1-27-14-18-23-24-21(28-18)22-20(26)17-12-25(13-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3,(H,22,24,26)
InChIKeySZDKZPMBCYOISU-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.34
Rot. Bonds7

About 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide

1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide (PubChem CID 53369995) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide
PubChem CID53369995
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)s1
InChIInChI=1S/C21H22N4O2S/c1-27-14-18-23-24-21(28-18)22-20(26)17-12-25(13-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3,(H,22,24,26)
InChIKeySZDKZPMBCYOISU-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
(3S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7268966
(3S)-1-[(4-chlorophenyl)methyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 39039277
(3S,4R)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 51720391
(3S)-5-oxo-N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9402271
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
1-(4-ethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6494518
(3S)-1-(2,5-dimethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9397089
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide?
The IUPAC name of 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide (CID 53369995) is 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide is COCc1nnc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)s1.
What is the InChIKey of 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide?
The InChIKey is SZDKZPMBCYOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-14-18-23-24-21(28-18)22-20(26)17-12-25(13-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3,(H,22,24,26).
What are the key properties of 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide?
1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 53369995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).