3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide

C23H24N2O3S — CID 139369366

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C12C3C4C1C1C2C3C41NC(=O)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C23H24N2O3S/c1-21(2,27)22-13-16-14(22)18-15(22)17(13)23(16,18)25-20(26)9-6-10(7-9)28-11-4-3-5-12-19(11)24-8-29-12/h3-5,8-10,13-18,27H,6-7H2,1-2H3,(H,25,26)
InChIKeyOSDFTWUOFDNFDR-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.83
Rot. Bonds5

About 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide (PubChem CID 139369366) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide
PubChem CID139369366
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide
SMILESCC(C)(O)C12C3C4C1C1C2C3C41NC(=O)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C23H24N2O3S/c1-21(2,27)22-13-16-14(22)18-15(22)17(13)23(16,18)25-20(26)9-6-10(7-9)28-11-4-3-5-12-19(11)24-8-29-12/h3-5,8-10,13-18,27H,6-7H2,1-2H3,(H,25,26)
InChIKeyOSDFTWUOFDNFDR-UHFFFAOYSA-N
XLogP2.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide (CID 139369366) is 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide is CC(C)(O)C12C3C4C1C1C2C3C41NC(=O)C1CC(Oc2cccc3scnc23)C1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide?
The InChIKey is OSDFTWUOFDNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-21(2,27)22-13-16-14(22)18-15(22)17(13)23(16,18)25-20(26)9-6-10(7-9)28-11-4-3-5-12-19(11)24-8-29-12/h3-5,8-10,13-18,27H,6-7H2,1-2H3,(H,25,26).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-hydroxypropan-2-yl)cuban-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 139369366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).