3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine

C8H8ClN5S — CID 131123494

IUPAC3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1nccnc1Cl)c1csnn1
InChIInChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)12-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,12)
InChIKeyUTDGJZCWTZQUTC-UHFFFAOYSA-N
MW241.71 g/mol
LogP2.15
Rot. Bonds3

About 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine

3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine (PubChem CID 131123494) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine
PubChem CID131123494
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1nccnc1Cl)c1csnn1
InChIInChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)12-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,12)
InChIKeyUTDGJZCWTZQUTC-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(thiadiazol-4-ylmethyl)pyrazine-2,6-diamine
CID 130871009
3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
CID 130987211
3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine
CID 130987471
6-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
CID 131020153
2-N-(thiadiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 131062312
5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
CID 131096865
5-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine
CID 131198049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine (CID 131123494) is 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine is CC(Nc1nccnc1Cl)c1csnn1.
What is the InChIKey of 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine?
The InChIKey is UTDGJZCWTZQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)12-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine?
3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine has a molecular weight of 241.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 131123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).