2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole

C19H14N2S — CID 148952358

IUPAC2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole
SMILESC1=Cc2c([nH]c3cc4nc(-c5ccccc5)sc4cc23)CC1
InChIInChI=1S/C19H14N2S/c1-2-6-12(7-3-1)19-21-17-11-16-14(10-18(17)22-19)13-8-4-5-9-15(13)20-16/h1-4,6-8,10-11,20H,5,9H2
InChIKeyPQEWOWQQVQKFIO-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.40
Rot. Bonds1

About 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole

2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole (PubChem CID 148952358) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole.

Molecular Properties

Compound Name2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole
PubChem CID148952358
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole
SMILESC1=Cc2c([nH]c3cc4nc(-c5ccccc5)sc4cc23)CC1
InChIInChI=1S/C19H14N2S/c1-2-6-12(7-3-1)19-21-17-11-16-14(10-18(17)22-19)13-8-4-5-9-15(13)20-16/h1-4,6-8,10-11,20H,5,9H2
InChIKeyPQEWOWQQVQKFIO-UHFFFAOYSA-N
XLogP5.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole?
The IUPAC name of 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole (CID 148952358) is 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole.
What is the SMILES notation for 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole?
The canonical SMILES for 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole is C1=Cc2c([nH]c3cc4nc(-c5ccccc5)sc4cc23)CC1.
What is the InChIKey of 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole?
The InChIKey is PQEWOWQQVQKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-2-6-12(7-3-1)19-21-17-11-16-14(10-18(17)22-19)13-8-4-5-9-15(13)20-16/h1-4,6-8,10-11,20H,5,9H2.
What are the key properties of 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole?
2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole has a molecular weight of 302.40 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8,9-dihydro-7H-[1,3]thiazolo[4,5-b]carbazole is sourced from PubChem (CID 148952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).