N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C16H26N4OS2 — CID 43816194

IUPACN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(SCCN2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C16H26N4OS2/c21-14(13-7-3-1-4-8-13)17-15-18-19-16(23-15)22-12-11-20-9-5-2-6-10-20/h13H,1-12H2,(H,17,18,21)
InChIKeyMZCGEMZXPXSKDC-UHFFFAOYSA-N
MW354.55 g/mol
LogP3.63
Rot. Bonds6

About N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 43816194) has the molecular formula C16H26N4OS2 and a molecular weight of 354.55 g/mol. Its IUPAC name is N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID43816194
Molecular FormulaC16H26N4OS2
Molecular Weight354.55 g/mol
Exact Mass354.15
IUPAC NameN-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(SCCN2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C16H26N4OS2/c21-14(13-7-3-1-4-8-13)17-15-18-19-16(23-15)22-12-11-20-9-5-2-6-10-20/h13H,1-12H2,(H,17,18,21)
InChIKeyMZCGEMZXPXSKDC-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide 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

1-methylsulfonyl-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 121029119
2-methoxy-N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3224578
N-[5-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1470558
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
CID 171668669
2-[methyl(methylsulfonyl)amino]-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121029657
2,4-difluoro-N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 171700169
3-chloro-N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 171668668
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 8800522
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
CID 1470505
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 134064939
N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 42667055
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 42388441

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 43816194) is N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(SCCN2CCCCC2)s1)C1CCCCC1.
What is the InChIKey of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is MZCGEMZXPXSKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS2/c21-14(13-7-3-1-4-8-13)17-15-18-19-16(23-15)22-12-11-20-9-5-2-6-10-20/h13H,1-12H2,(H,17,18,21).
What are the key properties of N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 354.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 43816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).