3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine

C10H19N3S — CID 65280428

IUPAC3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCC(c1nc(C(C)C)ns1)C(C)N
InChIInChI=1S/C10H19N3S/c1-5-8(7(4)11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3
InChIKeyQKNULUVBFPVHKN-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.50
Rot. Bonds4

About 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine

3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine (PubChem CID 65280428) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
PubChem CID65280428
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCC(c1nc(C(C)C)ns1)C(C)N
InChIInChI=1S/C10H19N3S/c1-5-8(7(4)11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3
InChIKeyQKNULUVBFPVHKN-UHFFFAOYSA-N
XLogP2.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine (CID 65280428) is 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine is CCC(c1nc(C(C)C)ns1)C(C)N.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The InChIKey is QKNULUVBFPVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-8(7(4)11)10-12-9(6(2)3)13-14-10/h6-8H,5,11H2,1-4H3.
What are the key properties of 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 65280428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).