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

C16H19N3OS2 — CID 7119407

IUPACN-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C16H19N3OS2/c1-11-6-2-5-9-13(11)15-18-16(22-19-15)21-10-14(20)17-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,20)
InChIKeyMDZDGCTXHPAISZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.66
Rot. Bonds5

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

N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 7119407) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID7119407
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC NameN-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C16H19N3OS2/c1-11-6-2-5-9-13(11)15-18-16(22-19-15)21-10-14(20)17-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,20)
InChIKeyMDZDGCTXHPAISZ-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 7119407) is N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1ccccc1-c1nsc(SCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is MDZDGCTXHPAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-11-6-2-5-9-13(11)15-18-16(22-19-15)21-10-14(20)17-12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 7119407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).