N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

C15H18N4OS2 — CID 100679366

IUPACN-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
SMILESCSc1ccc(-c2nsc(NC(=O)C3CCNCC3)n2)cc1
InChIInChI=1S/C15H18N4OS2/c1-21-12-4-2-10(3-5-12)13-17-15(22-19-13)18-14(20)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3,(H,17,18,19,20)
InChIKeyXZZRUSGBMXQIDR-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.87
Rot. Bonds4

About N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 100679366) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
PubChem CID100679366
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC NameN-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
SMILESCSc1ccc(-c2nsc(NC(=O)C3CCNCC3)n2)cc1
InChIInChI=1S/C15H18N4OS2/c1-21-12-4-2-10(3-5-12)13-17-15(22-19-13)18-14(20)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3,(H,17,18,19,20)
InChIKeyXZZRUSGBMXQIDR-UHFFFAOYSA-N
XLogP2.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide (CID 100679366) is N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide is CSc1ccc(-c2nsc(NC(=O)C3CCNCC3)n2)cc1.
What is the InChIKey of N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is XZZRUSGBMXQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-21-12-4-2-10(3-5-12)13-17-15(22-19-13)18-14(20)11-6-8-16-9-7-11/h2-5,11,16H,6-9H2,1H3,(H,17,18,19,20).
What are the key properties of N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide?
N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfanylphenyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100679366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).