4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide

C23H18N4O3S — CID 155816468

IUPAC4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)ccn1
InChIInChI=1S/C23H18N4O3S/c1-24-22(28)18-11-17(9-10-25-18)30-16-7-8-20-21(12-16)31-23-26-19(13-27(20)23)14-3-5-15(29-2)6-4-14/h3-13H,1-2H3,(H,24,28)
InChIKeyXJRYHLRNBAJVCM-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.77
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 155816468) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID155816468
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)ccn1
InChIInChI=1S/C23H18N4O3S/c1-24-22(28)18-11-17(9-10-25-18)30-16-7-8-20-21(12-16)31-23-26-19(13-27(20)23)14-3-5-15(29-2)6-4-14/h3-13H,1-2H3,(H,24,28)
InChIKeyXJRYHLRNBAJVCM-UHFFFAOYSA-N
XLogP4.77
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide
CID 155816359
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
CID 142556489
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 66803372
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433842
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 155816468) is 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)ccn1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is XJRYHLRNBAJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c1-24-22(28)18-11-17(9-10-25-18)30-16-7-8-20-21(12-16)31-23-26-19(13-27(20)23)14-3-5-15(29-2)6-4-14/h3-13H,1-2H3,(H,24,28).
What are the key properties of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).