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

C11H17N3OS2 — CID 754909

IUPACN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C11H17N3OS2/c1-8-13-14-11(17-8)16-7-10(15)12-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyJEZFVDKJQZHUFK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.39
Rot. Bonds4

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

N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 754909) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID754909
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC NameN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C11H17N3OS2/c1-8-13-14-11(17-8)16-7-10(15)12-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15)
InChIKeyJEZFVDKJQZHUFK-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 754909) is N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JEZFVDKJQZHUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-8-13-14-11(17-8)16-7-10(15)12-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15).
What are the key properties of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 271.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 754909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).