2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C6H5N5S2 — CID 116798322

IUPAC2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2ncns2)n1
InChIInChI=1S/C6H5N5S2/c7-4-1-2-8-5(11-4)12-6-9-3-10-13-6/h1-3H,(H2,7,8,11)
InChIKeyNAPPNFZHHMHUKX-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.06
Rot. Bonds2

About 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 116798322) has the molecular formula C6H5N5S2 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID116798322
Molecular FormulaC6H5N5S2
Molecular Weight211.28 g/mol
Exact Mass211.00
IUPAC Name2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2ncns2)n1
InChIInChI=1S/C6H5N5S2/c7-4-1-2-8-5(11-4)12-6-9-3-10-13-6/h1-3H,(H2,7,8,11)
InChIKeyNAPPNFZHHMHUKX-UHFFFAOYSA-N
XLogP1.06
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 116798322) is 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is Nc1ccnc(Sc2ncns2)n1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is NAPPNFZHHMHUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5S2/c7-4-1-2-8-5(11-4)12-6-9-3-10-13-6/h1-3H,(H2,7,8,11).
What are the key properties of 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 211.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 116798322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).