N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C17H21N3OS2 — CID 6624174

IUPACN-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C17H21N3OS2/c1-12-7-5-6-10-14(12)16-19-17(23-20-16)22-11-15(21)18-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyIVRWHBPONHIBSW-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.05
Rot. Bonds5

About N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 6624174) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID6624174
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC NameN-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C17H21N3OS2/c1-12-7-5-6-10-14(12)16-19-17(23-20-16)22-11-15(21)18-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyIVRWHBPONHIBSW-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclohexyl-acetamide
CID 647687
1-(Pyrrolidin-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 3242714
N-benzyl-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2985157
N-(4-fluorobenzyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571571
N-(4-fluorobenzyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119350
N-cyclopentyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7556598
2-[[3-(m-Tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1-piperidyl)ethanone
CID 4141813
N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
CID 4148860
N-(2,3-dimethylcyclohexyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4371998
N-phenethyl-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571575
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 5156109
2-((3-(p-Tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 6624208

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 6624174) is N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1ccccc1-c1nsc(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is IVRWHBPONHIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-12-7-5-6-10-14(12)16-19-17(23-20-16)22-11-15(21)18-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 6624174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).