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

C11H21N3S — CID 65208518

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nnc(C)s1
InChIInChI=1S/C11H21N3S/c1-5-7-12-10(6-2)8(3)11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWJXJLGVXSOLRTJ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.73
Rot. Bonds6

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

2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine (PubChem CID 65208518) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine
PubChem CID65208518
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nnc(C)s1
InChIInChI=1S/C11H21N3S/c1-5-7-12-10(6-2)8(3)11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3
InChIKeyWJXJLGVXSOLRTJ-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine (CID 65208518) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nnc(C)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine?
The InChIKey is WJXJLGVXSOLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-7-12-10(6-2)8(3)11-14-13-9(4)15-11/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine?
2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine has a molecular weight of 227.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 65208518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).