3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C18H29N7S — CID 75472710

IUPAC3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCCC(c3n[nH]c(C4CCCCC4)n3)C2)ns1
InChIInChI=1S/C18H29N7S/c1-24(2)18-19-15(23-26-18)12-25-10-6-9-14(11-25)17-20-16(21-22-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,20,21,22)
InChIKeyKZBCHKQYTNENIA-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.15
Rot. Bonds5

About 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 75472710) has the molecular formula C18H29N7S and a molecular weight of 375.55 g/mol. Its IUPAC name is 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID75472710
Molecular FormulaC18H29N7S
Molecular Weight375.55 g/mol
Exact Mass375.22
IUPAC Name3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCCC(c3n[nH]c(C4CCCCC4)n3)C2)ns1
InChIInChI=1S/C18H29N7S/c1-24(2)18-19-15(23-26-18)12-25-10-6-9-14(11-25)17-20-16(21-22-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,20,21,22)
InChIKeyKZBCHKQYTNENIA-UHFFFAOYSA-N
XLogP3.15
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 75472710) is 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCCC(c3n[nH]c(C4CCCCC4)n3)C2)ns1.
What is the InChIKey of 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KZBCHKQYTNENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7S/c1-24(2)18-19-15(23-26-18)12-25-10-6-9-14(11-25)17-20-16(21-22-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,20,21,22).
What are the key properties of 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 375.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75472710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).