1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine

C19H15N3OS — CID 682586

IUPAC1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCOc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-23-15-8-6-13(7-9-15)18-12-24-19(22-18)21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3
InChIKeyPHEBOOKKVMNQHW-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.05
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine

1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine (PubChem CID 682586) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
PubChem CID682586
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
SMILESCOc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-23-15-8-6-13(7-9-15)18-12-24-19(22-18)21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3
InChIKeyPHEBOOKKVMNQHW-UHFFFAOYSA-N
XLogP5.05
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine (CID 682586) is 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine is COc1ccc(-c2csc(N=Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is PHEBOOKKVMNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-23-15-8-6-13(7-9-15)18-12-24-19(22-18)21-11-14-10-20-17-5-3-2-4-16(14)17/h2-12,20H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine?
1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 333.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 682586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).