7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole

C20H15N3S — CID 122519712

IUPAC7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc2c(c1)[nH]c1cc(-c3ccc(C)c4nsnc34)ccc12
InChIInChI=1S/C20H15N3S/c1-11-3-6-15-16-8-5-13(10-18(16)21-17(15)9-11)14-7-4-12(2)19-20(14)23-24-22-19/h3-10,21H,1-2H3
InChIKeyIEMPBDQPMBFFOW-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.61
Rot. Bonds1

About 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole

7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole (PubChem CID 122519712) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole
PubChem CID122519712
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC Name7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc2c(c1)[nH]c1cc(-c3ccc(C)c4nsnc34)ccc12
InChIInChI=1S/C20H15N3S/c1-11-3-6-15-16-8-5-13(10-18(16)21-17(15)9-11)14-7-4-12(2)19-20(14)23-24-22-19/h3-10,21H,1-2H3
InChIKeyIEMPBDQPMBFFOW-UHFFFAOYSA-N
XLogP5.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole (CID 122519712) is 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole is Cc1ccc2c(c1)[nH]c1cc(-c3ccc(C)c4nsnc34)ccc12.
What is the InChIKey of 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is IEMPBDQPMBFFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c1-11-3-6-15-16-8-5-13(10-18(16)21-17(15)9-11)14-7-4-12(2)19-20(14)23-24-22-19/h3-10,21H,1-2H3.
What are the key properties of 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole?
7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 329.43 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 122519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).