N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine

C10H10ClN3S — CID 83063465

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCc1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyHZGFQENQZJDWNZ-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine (PubChem CID 83063465) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
PubChem CID83063465
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCc1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyHZGFQENQZJDWNZ-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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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538714
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80978050
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine (CID 83063465) is N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is HZGFQENQZJDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-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 N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83063465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).