1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine

C22H15BrN4S — CID 75216888

IUPAC1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine
SMILESBrc1ccccc1C=Nc1nnc(Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C22H15BrN4S/c23-18-10-4-1-7-15(18)13-24-22-26-25-21(28-22)14-27-19-11-5-2-8-16(19)17-9-3-6-12-20(17)27/h1-13H,14H2
InChIKeyLAFFVFLXPFWHBJ-UHFFFAOYSA-N
MW447.36 g/mol
LogP6.21
Rot. Bonds4

About 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine

1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine (PubChem CID 75216888) has the molecular formula C22H15BrN4S and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine
PubChem CID75216888
Molecular FormulaC22H15BrN4S
Molecular Weight447.36 g/mol
Exact Mass446.02
IUPAC Name1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine
SMILESBrc1ccccc1C=Nc1nnc(Cn2c3ccccc3c3ccccc32)s1
InChIInChI=1S/C22H15BrN4S/c23-18-10-4-1-7-15(18)13-24-22-26-25-21(28-22)14-27-19-11-5-2-8-16(19)17-9-3-6-12-20(17)27/h1-13H,14H2
InChIKeyLAFFVFLXPFWHBJ-UHFFFAOYSA-N
XLogP6.21
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine?
The IUPAC name of 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine (CID 75216888) is 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine is Brc1ccccc1C=Nc1nnc(Cn2c3ccccc3c3ccccc32)s1.
What is the InChIKey of 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine?
The InChIKey is LAFFVFLXPFWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4S/c23-18-10-4-1-7-15(18)13-24-22-26-25-21(28-22)14-27-19-11-5-2-8-16(19)17-9-3-6-12-20(17)27/h1-13H,14H2.
What are the key properties of 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine?
1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine has a molecular weight of 447.36 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[5-(carbazol-9-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine is sourced from PubChem (CID 75216888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).