3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine

C8H7ClN4S — CID 166793488

IUPAC3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
SMILESNc1cnc(N)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H7ClN4S/c9-5-2-1-4(14-5)7-8(11)12-3-6(10)13-7/h1-3H,(H2,10,13)(H2,11,12)
InChIKeyZASBTISFCSJZSF-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.02
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine

3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine (PubChem CID 166793488) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
PubChem CID166793488
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
SMILESNc1cnc(N)c(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H7ClN4S/c9-5-2-1-4(14-5)7-8(11)12-3-6(10)13-7/h1-3H,(H2,10,13)(H2,11,12)
InChIKeyZASBTISFCSJZSF-UHFFFAOYSA-N
XLogP2.02
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
CID 82473516
2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
CID 64983084
6-chloro-2-(5-chlorothiophen-2-yl)quinazolin-4-amine
CID 64983299
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
CID 56878212
[4-(5-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82284454
2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
CID 82293528
8-(2-chloro-6-methyl-4-pyridinyl)-7-(5-chlorothiophen-2-yl)pyrido[3,4-b]pyrazin-5-amine
CID 154608536
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
CID 82477239
2-(5-chlorothiophen-2-yl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66302604
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine (CID 166793488) is 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine is Nc1cnc(N)c(-c2ccc(Cl)s2)n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine?
The InChIKey is ZASBTISFCSJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-5-2-1-4(14-5)7-8(11)12-3-6(10)13-7/h1-3H,(H2,10,13)(H2,11,12).
What are the key properties of 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine?
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine has a molecular weight of 226.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine is sourced from PubChem (CID 166793488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).