4-(9H-carbazol-1-yl)-1,3-benzothiazole

C19H12N2S — CID 90707677

IUPAC4-(9H-carbazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cccc4scnc34)cccc12
InChIInChI=1S/C19H12N2S/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H
InChIKeyYJFBVTJEGUMPKG-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.60
Rot. Bonds1

About 4-(9H-carbazol-1-yl)-1,3-benzothiazole

4-(9H-carbazol-1-yl)-1,3-benzothiazole (PubChem CID 90707677) has the molecular formula C19H12N2S and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-(9H-carbazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-(9H-carbazol-1-yl)-1,3-benzothiazole
PubChem CID90707677
Molecular FormulaC19H12N2S
Molecular Weight300.39 g/mol
Exact Mass300.07
IUPAC Name4-(9H-carbazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cccc4scnc34)cccc12
InChIInChI=1S/C19H12N2S/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H
InChIKeyYJFBVTJEGUMPKG-UHFFFAOYSA-N
XLogP5.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 4-(9H-carbazol-1-yl)-1,3-benzothiazole (CID 90707677) is 4-(9H-carbazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-(9H-carbazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4-(9H-carbazol-1-yl)-1,3-benzothiazole is c1ccc2c(c1)[nH]c1c(-c3cccc4scnc34)cccc12.
What is the InChIKey of 4-(9H-carbazol-1-yl)-1,3-benzothiazole?
The InChIKey is YJFBVTJEGUMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2S/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H.
What are the key properties of 4-(9H-carbazol-1-yl)-1,3-benzothiazole?
4-(9H-carbazol-1-yl)-1,3-benzothiazole has a molecular weight of 300.39 g/mol, XLogP of 5.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 90707677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).