2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide

C16H26N4OS2 — CID 2391177

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide
SMILESNc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C16H26N4OS2/c17-15-18-19-16(23-15)22-11-14(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,(H2,17,18)
InChIKeyFOMCFZWBHOKGGZ-UHFFFAOYSA-N
MW354.55 g/mol
LogP3.71
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide (PubChem CID 2391177) has the molecular formula C16H26N4OS2 and a molecular weight of 354.55 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide
PubChem CID2391177
Molecular FormulaC16H26N4OS2
Molecular Weight354.55 g/mol
Exact Mass354.15
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide
SMILESNc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C16H26N4OS2/c17-15-18-19-16(23-15)22-11-14(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,(H2,17,18)
InChIKeyFOMCFZWBHOKGGZ-UHFFFAOYSA-N
XLogP3.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide (CID 2391177) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide is Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The InChIKey is FOMCFZWBHOKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS2/c17-15-18-19-16(23-15)22-11-14(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2,(H2,17,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide has a molecular weight of 354.55 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dicyclohexylacetamide is sourced from PubChem (CID 2391177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).