3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine

C12H21N3S — CID 65280235

IUPAC3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CC2)ns1)C(C)C
InChIInChI=1S/C12H21N3S/c1-7(2)10(8(3)13-4)12-14-11(15-16-12)9-5-6-9/h7-10,13H,5-6H2,1-4H3
InChIKeyCGOURTIYJNUGEC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.76
Rot. Bonds5

About 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine

3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine (PubChem CID 65280235) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine
PubChem CID65280235
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(C2CC2)ns1)C(C)C
InChIInChI=1S/C12H21N3S/c1-7(2)10(8(3)13-4)12-14-11(15-16-12)9-5-6-9/h7-10,13H,5-6H2,1-4H3
InChIKeyCGOURTIYJNUGEC-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine (CID 65280235) is 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(C2CC2)ns1)C(C)C.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine?
The InChIKey is CGOURTIYJNUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-7(2)10(8(3)13-4)12-14-11(15-16-12)9-5-6-9/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine?
3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 65280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).