2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine

C24H18N4OS — CID 155927711

IUPAC2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2c(c1)sc1nc(-c3c[nH]c4ccccc34)c(Nc3ccccc3)n12
InChIInChI=1S/C24H18N4OS/c1-29-16-11-12-20-21(13-16)30-24-27-22(18-14-25-19-10-6-5-9-17(18)19)23(28(20)24)26-15-7-3-2-4-8-15/h2-14,25-26H,1H3
InChIKeyDTNXIBMYWCMDEE-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.45
Rot. Bonds4

About 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine

2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 155927711) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID155927711
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2c(c1)sc1nc(-c3c[nH]c4ccccc34)c(Nc3ccccc3)n12
InChIInChI=1S/C24H18N4OS/c1-29-16-11-12-20-21(13-16)30-24-27-22(18-14-25-19-10-6-5-9-17(18)19)23(28(20)24)26-15-7-3-2-4-8-15/h2-14,25-26H,1H3
InChIKeyDTNXIBMYWCMDEE-UHFFFAOYSA-N
XLogP6.45
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine (CID 155927711) is 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine is COc1ccc2c(c1)sc1nc(-c3c[nH]c4ccccc34)c(Nc3ccccc3)n12.
What is the InChIKey of 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is DTNXIBMYWCMDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-29-16-11-12-20-21(13-16)30-24-27-22(18-14-25-19-10-6-5-9-17(18)19)23(28(20)24)26-15-7-3-2-4-8-15/h2-14,25-26H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine?
2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 410.50 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-6-methoxy-N-phenylimidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 155927711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).