5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine

C8H8ClN5S — CID 131096865

IUPAC5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1nnsc1CNc1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN5S/c1-5-6(15-14-13-5)2-11-8-4-10-7(9)3-12-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyAFHQLXTVFBDKOR-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine

5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 131096865) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
PubChem CID131096865
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1nnsc1CNc1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN5S/c1-5-6(15-14-13-5)2-11-8-4-10-7(9)3-12-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyAFHQLXTVFBDKOR-UHFFFAOYSA-N
XLogP1.90
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine (CID 131096865) is 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine is Cc1nnsc1CNc1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is AFHQLXTVFBDKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5-6(15-14-13-5)2-11-8-4-10-7(9)3-12-8/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine?
5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 241.71 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 131096865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).