4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C17H19N5O2S — CID 46983544

IUPAC4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19N5O2S/c23-15(13-6-7-13)21-8-10-22(11-9-21)17(24)19-16-18-14(20-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19,20,24)
InChIKeyFTLSAQFRMVXYMT-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.29
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 46983544) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID46983544
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19N5O2S/c23-15(13-6-7-13)21-8-10-22(11-9-21)17(24)19-16-18-14(20-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19,20,24)
InChIKeyFTLSAQFRMVXYMT-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-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

Oxan-4-yl-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 25266387
1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 11669357
N1-(tert-butyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 2809272
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
CID 78225484
1-(1-Methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48749990
4-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46982806
4-(1-hydroxypropyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984473
N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986858
4-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990783
4-[(2-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 46991588

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 46983544) is 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is FTLSAQFRMVXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15(13-6-7-13)21-8-10-22(11-9-21)17(24)19-16-18-14(20-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19,20,24).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).