2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine

C15H16N4S — CID 80847555

IUPAC2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H16N4S/c1-2-6-17-14-9-16-10-15(19-14)18-12-3-4-13-11(8-12)5-7-20-13/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19)
InChIKeyWYZMDXDQPTZXBO-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.26
Rot. Bonds5

About 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine

2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80847555) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80847555
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H16N4S/c1-2-6-17-14-9-16-10-15(19-14)18-12-3-4-13-11(8-12)5-7-20-13/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19)
InChIKeyWYZMDXDQPTZXBO-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine (CID 80847555) is 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is WYZMDXDQPTZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-6-17-14-9-16-10-15(19-14)18-12-3-4-13-11(8-12)5-7-20-13/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine?
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 284.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80847555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).