2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine

C19H20N2S — CID 19099352

IUPAC2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine
SMILESCc1cc2c(s1)Cc1ccccc1N=C2C1=CCCN(C)C1
InChIInChI=1S/C19H20N2S/c1-13-10-16-18(22-13)11-14-6-3-4-8-17(14)20-19(16)15-7-5-9-21(2)12-15/h3-4,6-8,10H,5,9,11-12H2,1-2H3
InChIKeyNFHNAZPYPDMLGR-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.34
Rot. Bonds1

About 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine

2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine (PubChem CID 19099352) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine.

Molecular Properties

Compound Name2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine
PubChem CID19099352
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine
SMILESCc1cc2c(s1)Cc1ccccc1N=C2C1=CCCN(C)C1
InChIInChI=1S/C19H20N2S/c1-13-10-16-18(22-13)11-14-6-3-4-8-17(14)20-19(16)15-7-5-9-21(2)12-15/h3-4,6-8,10H,5,9,11-12H2,1-2H3
InChIKeyNFHNAZPYPDMLGR-UHFFFAOYSA-N
XLogP4.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine?
The IUPAC name of 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine (CID 19099352) is 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine.
What is the SMILES notation for 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine?
The canonical SMILES for 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine is Cc1cc2c(s1)Cc1ccccc1N=C2C1=CCCN(C)C1.
What is the InChIKey of 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine?
The InChIKey is NFHNAZPYPDMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-13-10-16-18(22-13)11-14-6-3-4-8-17(14)20-19(16)15-7-5-9-21(2)12-15/h3-4,6-8,10H,5,9,11-12H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine?
2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine has a molecular weight of 308.45 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-10H-thieno[3,2-c][1]benzazepine is sourced from PubChem (CID 19099352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).