N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine

C10H12N4S — CID 65268415

IUPACN-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccncc2)ns1
InChIInChI=1S/C10H12N4S/c1-2-5-12-10-13-9(14-15-10)8-3-6-11-7-4-8/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeyCDXCNXBVUKQTMA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.42
Rot. Bonds4

About N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine

N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268415) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268415
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ccncc2)ns1
InChIInChI=1S/C10H12N4S/c1-2-5-12-10-13-9(14-15-10)8-3-6-11-7-4-8/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeyCDXCNXBVUKQTMA-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.42
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-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine (CID 65268415) is N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2ccncc2)ns1.
What is the InChIKey of N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is CDXCNXBVUKQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-5-12-10-13-9(14-15-10)8-3-6-11-7-4-8/h3-4,6-7H,2,5H2,1H3,(H,12,13,14).
What are the key properties of N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine?
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 220.30 g/mol, XLogP of 2.42, 4 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-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).