N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine

C8H15N3S — CID 65280368

IUPACN-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCCNC(C)Cc1ncns1
InChIInChI=1S/C8H15N3S/c1-3-4-9-7(2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyLXDBMNKCARGXDX-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.47
Rot. Bonds5

About N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine

N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65280368) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65280368
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCCNC(C)Cc1ncns1
InChIInChI=1S/C8H15N3S/c1-3-4-9-7(2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3
InChIKeyLXDBMNKCARGXDX-UHFFFAOYSA-N
XLogP1.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65280368) is N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine is CCCNC(C)Cc1ncns1.
What is the InChIKey of N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is LXDBMNKCARGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-4-9-7(2)5-8-10-6-11-12-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine?
N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65280368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).