5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine

C16H20N4S — CID 135234282

IUPAC5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine
SMILESC=C(Cc1ccncc1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N4S/c1-12(11-13-7-9-17-10-8-13)18-16-20-19-15(21-16)14-5-3-2-4-6-14/h7-10,14H,1-6,11H2,(H,18,20)
InChIKeyFUAFXVKAOWPYMB-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.15
Rot. Bonds5

About 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine

5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 135234282) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID135234282
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine
SMILESC=C(Cc1ccncc1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N4S/c1-12(11-13-7-9-17-10-8-13)18-16-20-19-15(21-16)14-5-3-2-4-6-14/h7-10,14H,1-6,11H2,(H,18,20)
InChIKeyFUAFXVKAOWPYMB-UHFFFAOYSA-N
XLogP4.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine (CID 135234282) is 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine is C=C(Cc1ccncc1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FUAFXVKAOWPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-12(11-13-7-9-17-10-8-13)18-16-20-19-15(21-16)14-5-3-2-4-6-14/h7-10,14H,1-6,11H2,(H,18,20).
What are the key properties of 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine?
5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 300.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(3-pyridin-4-ylprop-1-en-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135234282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).