2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine

C11H14N6S — CID 65275814

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H14N6S/c12-9-2-1-3-13-10(9)16-4-6-17(7-5-16)11-14-8-15-18-11/h1-3,8H,4-7,12H2
InChIKeyJNMWCHHYRBAXER-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.84
Rot. Bonds2

About 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine

2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine (PubChem CID 65275814) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
PubChem CID65275814
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H14N6S/c12-9-2-1-3-13-10(9)16-4-6-17(7-5-16)11-14-8-15-18-11/h1-3,8H,4-7,12H2
InChIKeyJNMWCHHYRBAXER-UHFFFAOYSA-N
XLogP0.84
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine (CID 65275814) is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine is Nc1cccnc1N1CCN(c2ncns2)CC1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is JNMWCHHYRBAXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c12-9-2-1-3-13-10(9)16-4-6-17(7-5-16)11-14-8-15-18-11/h1-3,8H,4-7,12H2.
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine?
2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 262.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 65275814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).