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

C7H6N4S — CID 21486262

IUPAC3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccnc2)ns1
InChIInChI=1S/C7H6N4S/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,10,11)
InChIKeyDZQRFUXSKCTOTP-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.18
Rot. Bonds1

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

3-pyridin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 21486262) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID21486262
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccnc2)ns1
InChIInChI=1S/C7H6N4S/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,10,11)
InChIKeyDZQRFUXSKCTOTP-UHFFFAOYSA-N
XLogP1.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine (CID 21486262) is 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine is Nc1nc(-c2cccnc2)ns1.
What is the InChIKey of 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is DZQRFUXSKCTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,10,11).
What are the key properties of 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
3-pyridin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 178.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 21486262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).