1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine

C11H21N3S — CID 65272926

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(C)ns1
InChIInChI=1S/C11H21N3S/c1-4-6-10(12-7-5-2)8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3
InChIKeyZURBRRKBIWODMS-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine

1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine (PubChem CID 65272926) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
PubChem CID65272926
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(C)ns1
InChIInChI=1S/C11H21N3S/c1-4-6-10(12-7-5-2)8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3
InChIKeyZURBRRKBIWODMS-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine (CID 65272926) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
The InChIKey is ZURBRRKBIWODMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-6-10(12-7-5-2)8-11-13-9(3)14-15-11/h10,12H,4-8H2,1-3H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 65272926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).