3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

C10H10ClN3S — CID 62057964

IUPAC3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2nccnc2Cl)s1
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(15-7)6-14-10-9(11)12-4-5-13-10/h2-5H,6H2,1H3,(H,13,14)
InChIKeyCHJZJIPUSQDDGV-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine

3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 62057964) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID62057964
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
SMILESCc1ccc(CNc2nccnc2Cl)s1
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(15-7)6-14-10-9(11)12-4-5-13-10/h2-5H,6H2,1H3,(H,13,14)
InChIKeyCHJZJIPUSQDDGV-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine (CID 62057964) is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is Cc1ccc(CNc2nccnc2Cl)s1.
What is the InChIKey of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is CHJZJIPUSQDDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-2-3-8(15-7)6-14-10-9(11)12-4-5-13-10/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine?
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 239.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 62057964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).