N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide

C14H14N4O2S — CID 167917530

IUPACN-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C14H14N4O2S/c1-15-12(19)10-7-18(8-10)14(20)13-16-11(17-21-13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,19)
InChIKeyBXQTXDWBWYZHSA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide

N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide (PubChem CID 167917530) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide
PubChem CID167917530
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2nc(-c3ccccc3)ns2)C1
InChIInChI=1S/C14H14N4O2S/c1-15-12(19)10-7-18(8-10)14(20)13-16-11(17-21-13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,19)
InChIKeyBXQTXDWBWYZHSA-UHFFFAOYSA-N
XLogP1.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-ethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)azetidine-1,3-dicarboxamide
CID 71862261
N-methyl-1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)azetidine-3-carboxamide
CID 126785610
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
CID 136532080
2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001
[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 97083074
3-(4-methylphenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229304
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
1-[2-(4-bromophenyl)pyrimidin-4-yl]-N-methylazetidine-3-carboxamide
CID 138022849
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 47091854
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide (CID 167917530) is N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide is CNC(=O)C1CN(C(=O)c2nc(-c3ccccc3)ns2)C1.
What is the InChIKey of N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide?
The InChIKey is BXQTXDWBWYZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-15-12(19)10-7-18(8-10)14(20)13-16-11(17-21-13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,19).
What are the key properties of N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide?
N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyl-1,2,4-thiadiazole-5-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 167917530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).