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

C7H6ClN5S — CID 130871480

IUPAC3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cnns1
InChIInChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-12-13-14-5/h1-2,4H,3H2,(H,10,11)
InChIKeyZNYZCRJHKKALLV-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.59
Rot. Bonds3

About 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine

3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (PubChem CID 130871480) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
PubChem CID130871480
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cnns1
InChIInChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-12-13-14-5/h1-2,4H,3H2,(H,10,11)
InChIKeyZNYZCRJHKKALLV-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

6-chloro-N-methyl-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 130826179
N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 130856897
5-bromo-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 130871220
2-N-(thiadiazol-5-ylmethyl)pyrazine-2,5-diamine
CID 130927636
3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
CID 130987211
5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
CID 131015096
3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine
CID 131015265
6-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
CID 131020153
5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
CID 131096865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (CID 130871480) is 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is Clc1nccnc1NCc1cnns1.
What is the InChIKey of 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The InChIKey is ZNYZCRJHKKALLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c8-6-7(10-2-1-9-6)11-3-5-4-12-13-14-5/h1-2,4H,3H2,(H,10,11).
What are the key properties of 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
3-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 3-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 130871480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).