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

C13H18N6S — CID 65275971

IUPAC5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine
SMILESCCc1nsc(N2CCN(c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-2-12-16-13(20-17-12)19-7-5-18(6-8-19)10-3-4-11(14)15-9-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)
InChIKeyPGONHUUJQQXDPK-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.40
Rot. Bonds3

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

5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine (PubChem CID 65275971) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine
PubChem CID65275971
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine
SMILESCCc1nsc(N2CCN(c3ccc(N)nc3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-2-12-16-13(20-17-12)19-7-5-18(6-8-19)10-3-4-11(14)15-9-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15)
InChIKeyPGONHUUJQQXDPK-UHFFFAOYSA-N
XLogP1.40
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine (CID 65275971) is 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine is CCc1nsc(N2CCN(c3ccc(N)nc3)CC2)n1.
What is the InChIKey of 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is PGONHUUJQQXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-2-12-16-13(20-17-12)19-7-5-18(6-8-19)10-3-4-11(14)15-9-10/h3-4,9H,2,5-8H2,1H3,(H2,14,15).
What are the key properties of 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine?
5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 290.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 65275971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).