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

C10H19N3S — CID 65280543

IUPACN-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCNC(CCC)Cc1ncns1
InChIInChI=1S/C10H19N3S/c1-3-5-9(11-6-4-2)7-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyUGSVFSZHVQDHPN-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.25
Rot. Bonds7

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

N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine (PubChem CID 65280543) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
PubChem CID65280543
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCNC(CCC)Cc1ncns1
InChIInChI=1S/C10H19N3S/c1-3-5-9(11-6-4-2)7-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyUGSVFSZHVQDHPN-UHFFFAOYSA-N
XLogP2.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.25
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)pentan-2-amine?
The IUPAC name of N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine (CID 65280543) is N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine is CCCNC(CCC)Cc1ncns1.
What is the InChIKey of N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
The InChIKey is UGSVFSZHVQDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-5-9(11-6-4-2)7-10-12-8-13-14-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine?
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.25, 7 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)pentan-2-amine is sourced from PubChem (CID 65280543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).