N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine

C17H18N2S — CID 42631160

IUPACN-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine
SMILESCc1sc2c(C)c(Nc3ccccn3)cc(C)c2c1C
InChIInChI=1S/C17H18N2S/c1-10-9-14(19-15-7-5-6-8-18-15)12(3)17-16(10)11(2)13(4)20-17/h5-9H,1-4H3,(H,18,19)
InChIKeySOWKYIHYBBKMFT-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.27
Rot. Bonds2

About N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine

N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine (PubChem CID 42631160) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine
PubChem CID42631160
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine
SMILESCc1sc2c(C)c(Nc3ccccn3)cc(C)c2c1C
InChIInChI=1S/C17H18N2S/c1-10-9-14(19-15-7-5-6-8-18-15)12(3)17-16(10)11(2)13(4)20-17/h5-9H,1-4H3,(H,18,19)
InChIKeySOWKYIHYBBKMFT-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine?
The IUPAC name of N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine (CID 42631160) is N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine.
What is the SMILES notation for N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine?
The canonical SMILES for N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine is Cc1sc2c(C)c(Nc3ccccn3)cc(C)c2c1C.
What is the InChIKey of N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine?
The InChIKey is SOWKYIHYBBKMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-10-9-14(19-15-7-5-6-8-18-15)12(3)17-16(10)11(2)13(4)20-17/h5-9H,1-4H3,(H,18,19).
What are the key properties of N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine?
N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,7-tetramethyl-1-benzothiophen-6-yl)pyridin-2-amine is sourced from PubChem (CID 42631160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).