4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine

C5H3ClN6S — CID 83241012

IUPAC4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2csnn2)n1
InChIInChI=1S/C5H3ClN6S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H2,7,8,9,10)
InChIKeySRKZBOPRGXYWOI-UHFFFAOYSA-N
MW214.64 g/mol
LogP0.63
Rot. Bonds1

About 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 83241012) has the molecular formula C5H3ClN6S and a molecular weight of 214.64 g/mol. Its IUPAC name is 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID83241012
Molecular FormulaC5H3ClN6S
Molecular Weight214.64 g/mol
Exact Mass213.98
IUPAC Name4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2csnn2)n1
InChIInChI=1S/C5H3ClN6S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H2,7,8,9,10)
InChIKeySRKZBOPRGXYWOI-UHFFFAOYSA-N
XLogP0.63
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.64
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine (CID 83241012) is 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2csnn2)n1.
What is the InChIKey of 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is SRKZBOPRGXYWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN6S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H2,7,8,9,10).
What are the key properties of 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 214.64 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).