N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane

C14H26N4OS — CID 177337959

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane
SMILESCC.CC1(C)CCC(CC(=O)Nc2nnc(N)s2)CC1
InChIInChI=1S/C12H20N4OS.C2H6/c1-12(2)5-3-8(4-6-12)7-9(17)14-11-16-15-10(13)18-11;1-2/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,16,17);1-2H3
InChIKeyCVLHNHBHJFXPNH-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.69
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane (PubChem CID 177337959) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane
PubChem CID177337959
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane
SMILESCC.CC1(C)CCC(CC(=O)Nc2nnc(N)s2)CC1
InChIInChI=1S/C12H20N4OS.C2H6/c1-12(2)5-3-8(4-6-12)7-9(17)14-11-16-15-10(13)18-11;1-2/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,16,17);1-2H3
InChIKeyCVLHNHBHJFXPNH-UHFFFAOYSA-N
XLogP3.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane (CID 177337959) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane is CC.CC1(C)CCC(CC(=O)Nc2nnc(N)s2)CC1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane?
The InChIKey is CVLHNHBHJFXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.C2H6/c1-12(2)5-3-8(4-6-12)7-9(17)14-11-16-15-10(13)18-11;1-2/h8H,3-7H2,1-2H3,(H2,13,15)(H,14,16,17);1-2H3.
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane has a molecular weight of 298.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(4,4-dimethylcyclohexyl)acetamide;ethane is sourced from PubChem (CID 177337959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).