N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C11H14N4S — CID 65268531

IUPACN-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(Cc2ccncc2)ns1
InChIInChI=1S/C11H14N4S/c1-2-5-13-11-14-10(15-16-11)8-9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyGYRGCMKJKHOUCC-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds5

About N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268531) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268531
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(Cc2ccncc2)ns1
InChIInChI=1S/C11H14N4S/c1-2-5-13-11-14-10(15-16-11)8-9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15)
InChIKeyGYRGCMKJKHOUCC-UHFFFAOYSA-N
XLogP2.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268531) is N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is CCCNc1nc(Cc2ccncc2)ns1.
What is the InChIKey of N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GYRGCMKJKHOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-5-13-11-14-10(15-16-11)8-9-3-6-12-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,13,14,15).
What are the key properties of N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).