N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H26N4O2S — CID 6625757

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C24H26N4O2S/c1-3-27-11-5-7-18(27)14-25-23(29)17-9-10-21-22(13-17)31-24-26-20(15-28(21)24)16-6-4-8-19(12-16)30-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14H2,1-2H3,(H,25,29)
InChIKeyUGFKZZDZWMYROM-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.44
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 6625757) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID6625757
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCN1CCCC1CNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C24H26N4O2S/c1-3-27-11-5-7-18(27)14-25-23(29)17-9-10-21-22(13-17)31-24-26-20(15-28(21)24)16-6-4-8-19(12-16)30-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14H2,1-2H3,(H,25,29)
InChIKeyUGFKZZDZWMYROM-UHFFFAOYSA-N
XLogP4.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 6625757) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCN1CCCC1CNC(=O)c1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is UGFKZZDZWMYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-3-27-11-5-7-18(27)14-25-23(29)17-9-10-21-22(13-17)31-24-26-20(15-28(21)24)16-6-4-8-19(12-16)30-2/h4,6,8-10,12-13,15,18H,3,5,7,11,14H2,1-2H3,(H,25,29).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 6625757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).