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

C9H17N3S — CID 65280176

IUPACN-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCCNC(CC)Cc1ncns1
InChIInChI=1S/C9H17N3S/c1-3-5-10-8(4-2)6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3
InChIKeyQFLQCXZHGOJILQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.86
Rot. Bonds6

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

N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280176) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280176
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCCNC(CC)Cc1ncns1
InChIInChI=1S/C9H17N3S/c1-3-5-10-8(4-2)6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3
InChIKeyQFLQCXZHGOJILQ-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.86
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)butan-2-amine?
The IUPAC name of N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280176) is N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine is CCCNC(CC)Cc1ncns1.
What is the InChIKey of N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is QFLQCXZHGOJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-5-10-8(4-2)6-9-11-7-12-13-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine?
N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.86, 6 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)butan-2-amine is sourced from PubChem (CID 65280176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).