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

C12H19N3OS3 — CID 2661379

IUPACN-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS3/c1-2-17-11-14-15-12(19-11)18-8-10(16)13-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyIWHORSQXJVPIRG-UHFFFAOYSA-N
MW317.51 g/mol
LogP3.19
Rot. Bonds6

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

N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2661379) has the molecular formula C12H19N3OS3 and a molecular weight of 317.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID2661379
Molecular FormulaC12H19N3OS3
Molecular Weight317.51 g/mol
Exact Mass317.07
IUPAC NameN-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS3/c1-2-17-11-14-15-12(19-11)18-8-10(16)13-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)
InChIKeyIWHORSQXJVPIRG-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 2661379) is N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCSc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is IWHORSQXJVPIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS3/c1-2-17-11-14-15-12(19-11)18-8-10(16)13-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 317.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2661379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).