3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide

C15H17N5O2S — CID 71862261

IUPAC3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)Nc2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C15H17N5O2S/c1-2-16-13(21)11-8-20(9-11)15(22)18-14-17-12(19-23-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,21)(H,17,18,19,22)
InChIKeyWJHBLMXFDRKHAT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.80
Rot. Bonds4

About 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide

3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide (PubChem CID 71862261) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
PubChem CID71862261
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)Nc2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C15H17N5O2S/c1-2-16-13(21)11-8-20(9-11)15(22)18-14-17-12(19-23-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,21)(H,17,18,19,22)
InChIKeyWJHBLMXFDRKHAT-UHFFFAOYSA-N
XLogP1.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001
(3S,4S)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076891
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 97201689
2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46995702
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide
CID 167917530
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(2S)-1-piperidin-1-ylpropan-2-yl]urea
CID 99783227
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide (CID 71862261) is 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide is CCNC(=O)C1CN(C(=O)Nc2nc(-c3ccccc3)ns2)C1.
What is the InChIKey of 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide?
The InChIKey is WJHBLMXFDRKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-2-16-13(21)11-8-20(9-11)15(22)18-14-17-12(19-23-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,21)(H,17,18,19,22).
What are the key properties of 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide?
3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide is sourced from PubChem (CID 71862261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).