5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine

C10H18N4S — CID 46930853

IUPAC5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)c1nnc(NC2CCCCC2)s1
InChIInChI=1S/C10H18N4S/c1-7(11)9-13-14-10(15-9)12-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,14)
InChIKeyRWERQQUVCKJLOS-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.30
Rot. Bonds3

About 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine

5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine (PubChem CID 46930853) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
PubChem CID46930853
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)c1nnc(NC2CCCCC2)s1
InChIInChI=1S/C10H18N4S/c1-7(11)9-13-14-10(15-9)12-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,14)
InChIKeyRWERQQUVCKJLOS-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine (CID 46930853) is 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine is CC(N)c1nnc(NC2CCCCC2)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RWERQQUVCKJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(11)9-13-14-10(15-9)12-8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46930853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).