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

C11H20N4S — CID 82477350

IUPAC5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
SMILESNCCc1nnc(NC2CCCCCC2)s1
InChIInChI=1S/C11H20N4S/c12-8-7-10-14-15-11(16-10)13-9-5-3-1-2-4-6-9/h9H,1-8,12H2,(H,13,15)
InChIKeyDYQOWWRDCJVIHG-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.17
Rot. Bonds4

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

5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine (PubChem CID 82477350) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
PubChem CID82477350
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
SMILESNCCc1nnc(NC2CCCCCC2)s1
InChIInChI=1S/C11H20N4S/c12-8-7-10-14-15-11(16-10)13-9-5-3-1-2-4-6-9/h9H,1-8,12H2,(H,13,15)
InChIKeyDYQOWWRDCJVIHG-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
5-(1-aminoethyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 46930853
N-(4,4-dimethylcycloheptyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647699
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647994
2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80596034
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
N-[3-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231942
5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 6502471

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine (CID 82477350) is 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine is NCCc1nnc(NC2CCCCCC2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DYQOWWRDCJVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c12-8-7-10-14-15-11(16-10)13-9-5-3-1-2-4-6-9/h9H,1-8,12H2,(H,13,15).
What are the key properties of 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine?
5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82477350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).