2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine

C18H16N2OS — CID 10357935

IUPAC2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine
SMILESCOc1ccc(-c2nc3c(s2)Nc2ccccc2CC3)cc1
InChIInChI=1S/C18H16N2OS/c1-21-14-9-6-13(7-10-14)17-20-16-11-8-12-4-2-3-5-15(12)19-18(16)22-17/h2-7,9-10,19H,8,11H2,1H3
InChIKeyZSGXTEZHFOGWJY-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine

2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine (PubChem CID 10357935) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine
PubChem CID10357935
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine
SMILESCOc1ccc(-c2nc3c(s2)Nc2ccccc2CC3)cc1
InChIInChI=1S/C18H16N2OS/c1-21-14-9-6-13(7-10-14)17-20-16-11-8-12-4-2-3-5-15(12)19-18(16)22-17/h2-7,9-10,19H,8,11H2,1H3
InChIKeyZSGXTEZHFOGWJY-UHFFFAOYSA-N
XLogP4.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4,9-dihydro-[1,3]thiazolo[5,4-b]quinoline
CID 96619252
2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 141143516
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62089370
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090255
2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
CID 135569930
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
CID 54235410
2-bromo-3-(4-methoxyphenyl)-1H-indene
CID 157190744
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134924
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
CID 12733556

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine?
The IUPAC name of 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine (CID 10357935) is 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine?
The canonical SMILES for 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine is COc1ccc(-c2nc3c(s2)Nc2ccccc2CC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine?
The InChIKey is ZSGXTEZHFOGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-21-14-9-6-13(7-10-14)17-20-16-11-8-12-4-2-3-5-15(12)19-18(16)22-17/h2-7,9-10,19H,8,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine?
2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine has a molecular weight of 308.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,10-dihydro-4H-[1,3]thiazolo[5,4-b][1]benzazepine is sourced from PubChem (CID 10357935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).