1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

C23H17N3S — CID 1271030

IUPAC1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCc1ccc2nc(-c3ccc(/N=C/c4c[nH]c5ccccc45)cc3)sc2c1
InChIInChI=1S/C23H17N3S/c1-15-6-11-21-22(12-15)27-23(26-21)16-7-9-18(10-8-16)24-13-17-14-25-20-5-3-2-4-19(17)20/h2-14,25H,1H3/b24-13+
InChIKeyHWRSQSBIJIBOLZ-ZMOGYAJESA-N
MW367.48 g/mol
LogP6.50
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (PubChem CID 1271030) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
PubChem CID1271030
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCc1ccc2nc(-c3ccc(/N=C/c4c[nH]c5ccccc45)cc3)sc2c1
InChIInChI=1S/C23H17N3S/c1-15-6-11-21-22(12-15)27-23(26-21)16-7-9-18(10-8-16)24-13-17-14-25-20-5-3-2-4-19(17)20/h2-14,25H,1H3/b24-13+
InChIKeyHWRSQSBIJIBOLZ-ZMOGYAJESA-N
XLogP6.50
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (CID 1271030) is 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is Cc1ccc2nc(-c3ccc(/N=C/c4c[nH]c5ccccc45)cc3)sc2c1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The InChIKey is HWRSQSBIJIBOLZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H17N3S/c1-15-6-11-21-22(12-15)27-23(26-21)16-7-9-18(10-8-16)24-13-17-14-25-20-5-3-2-4-19(17)20/h2-14,25H,1H3/b24-13+.
What are the key properties of 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine has a molecular weight of 367.48 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is sourced from PubChem (CID 1271030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).