5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine

C7H6ClN5S — CID 131015096

IUPAC5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
SMILESClc1cnc(NCc2cnns2)cn1
InChIInChI=1S/C7H6ClN5S/c8-6-3-11-7(4-9-6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,10,11)
InChIKeyKZBHYOWUUVPKFG-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.59
Rot. Bonds3

About 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine

5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (PubChem CID 131015096) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
PubChem CID131015096
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
SMILESClc1cnc(NCc2cnns2)cn1
InChIInChI=1S/C7H6ClN5S/c8-6-3-11-7(4-9-6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,10,11)
InChIKeyKZBHYOWUUVPKFG-UHFFFAOYSA-N
XLogP1.59
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (CID 131015096) is 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is Clc1cnc(NCc2cnns2)cn1.
What is the InChIKey of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The InChIKey is KZBHYOWUUVPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c8-6-3-11-7(4-9-6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,10,11).
What are the key properties of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine has a molecular weight of 227.68 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 131015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).