3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H21N3S — CID 65423064

IUPAC3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2CCCCCC2)ns1
InChIInChI=1S/C12H21N3S/c1-9(2)13-12-14-11(15-16-12)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNISOBGVJGLNATL-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.80
Rot. Bonds3

About 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65423064) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65423064
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2CCCCCC2)ns1
InChIInChI=1S/C12H21N3S/c1-9(2)13-12-14-11(15-16-12)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyNISOBGVJGLNATL-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65423064) is 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(C2CCCCCC2)ns1.
What is the InChIKey of 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NISOBGVJGLNATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)13-12-14-11(15-16-12)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65423064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).