N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C22H23N3O2S — CID 22523809

IUPACN-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC(C)CC)ccc23)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-14(3)23-21(26)16-8-11-19-20(12-16)28-22-24-18(13-25(19)22)15-6-9-17(10-7-15)27-5-2/h6-14H,4-5H2,1-3H3,(H,23,26)
InChIKeyOOTOQHZSRZITPZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.14
Rot. Bonds6

About N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523809) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523809
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC(C)CC)ccc23)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-14(3)23-21(26)16-8-11-19-20(12-16)28-22-24-18(13-25(19)22)15-6-9-17(10-7-15)27-5-2/h6-14H,4-5H2,1-3H3,(H,23,26)
InChIKeyOOTOQHZSRZITPZ-UHFFFAOYSA-N
XLogP5.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523809) is N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC(C)CC)ccc23)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is OOTOQHZSRZITPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-14(3)23-21(26)16-8-11-19-20(12-16)28-22-24-18(13-25(19)22)15-6-9-17(10-7-15)27-5-2/h6-14H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).