3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine

C7H6ClN5S — CID 130987211

IUPAC3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1csnn1
InChIInChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H,10,11)
InChIKeyPBAMZMVAKQNGPY-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.59
Rot. Bonds3

About 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine

3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine (PubChem CID 130987211) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
PubChem CID130987211
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1csnn1
InChIInChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H,10,11)
InChIKeyPBAMZMVAKQNGPY-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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Related Compounds

5-Chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole
CID 35015802
3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine
CID 63823983
N-(3-chloropyrazin-2-yl)thiadiazole-4-carboxamide
CID 102989083
2-N-(thiadiazol-4-ylmethyl)pyrazine-2,6-diamine
CID 130871009
3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 130871480
3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine
CID 130987471
5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 131015096
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
3-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrazin-2-amine
CID 131123494
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-(thiadiazol-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine (CID 130987211) is 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine is Clc1nccnc1NCc1csnn1.
What is the InChIKey of 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine?
The InChIKey is PBAMZMVAKQNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H,10,11).
What are the key properties of 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine?
3-chloro-N-(thiadiazol-4-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 3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 130987211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).