5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile

C19H32N4S — CID 157478754

IUPAC5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile
SMILESN#CCCC1CCCCC1.Nc1nnc(CCC2CCCCC2)s1
InChIInChI=1S/C10H17N3S.C9H15N/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8;10-8-4-7-9-5-2-1-3-6-9/h8H,1-7H2,(H2,11,13);9H,1-7H2
InChIKeyBVXIKVYPWYOGQF-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.50
Rot. Bonds5

About 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile

5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile (PubChem CID 157478754) has the molecular formula C19H32N4S and a molecular weight of 348.56 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile
PubChem CID157478754
Molecular FormulaC19H32N4S
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Name5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile
SMILESN#CCCC1CCCCC1.Nc1nnc(CCC2CCCCC2)s1
InChIInChI=1S/C10H17N3S.C9H15N/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8;10-8-4-7-9-5-2-1-3-6-9/h8H,1-7H2,(H2,11,13);9H,1-7H2
InChIKeyBVXIKVYPWYOGQF-UHFFFAOYSA-N
XLogP5.50
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile?
The IUPAC name of 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile (CID 157478754) is 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile.
What is the SMILES notation for 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile?
The canonical SMILES for 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile is N#CCCC1CCCCC1.Nc1nnc(CCC2CCCCC2)s1.
What is the InChIKey of 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile?
The InChIKey is BVXIKVYPWYOGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.C9H15N/c11-10-13-12-9(14-10)7-6-8-4-2-1-3-5-8;10-8-4-7-9-5-2-1-3-6-9/h8H,1-7H2,(H2,11,13);9H,1-7H2.
What are the key properties of 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile?
5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile has a molecular weight of 348.56 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile is sourced from PubChem (CID 157478754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).