3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine

C8H7ClN4S — CID 63823983

IUPAC3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cscn1
InChIInChI=1S/C8H7ClN4S/c9-7-8(11-2-1-10-7)12-3-6-4-14-5-13-6/h1-2,4-5H,3H2,(H,11,12)
InChIKeyJYQLUIBLQSJXEE-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.20
Rot. Bonds3

About 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine

3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine (PubChem CID 63823983) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine
PubChem CID63823983
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cscn1
InChIInChI=1S/C8H7ClN4S/c9-7-8(11-2-1-10-7)12-3-6-4-14-5-13-6/h1-2,4-5H,3H2,(H,11,12)
InChIKeyJYQLUIBLQSJXEE-UHFFFAOYSA-N
XLogP2.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine (CID 63823983) is 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine is Clc1nccnc1NCc1cscn1.
What is the InChIKey of 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine?
The InChIKey is JYQLUIBLQSJXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-7-8(11-2-1-10-7)12-3-6-4-14-5-13-6/h1-2,4-5H,3H2,(H,11,12).
What are the key properties of 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine?
3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine has a molecular weight of 226.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-thiazol-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 63823983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).