1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

C20H15ClN2O3S — CID 86609011

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESClc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C20H15ClN2O3S/c21-19-22-7-12(27-19)8-23-9-20(13-3-1-2-4-15(13)23)10-24-16-6-18-17(5-14(16)20)25-11-26-18/h1-7H,8-11H2
InChIKeyPLMILISJYMYUJQ-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.22
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 86609011) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID86609011
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESClc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1
InChIInChI=1S/C20H15ClN2O3S/c21-19-22-7-12(27-19)8-23-9-20(13-3-1-2-4-15(13)23)10-24-16-6-18-17(5-14(16)20)25-11-26-18/h1-7H,8-11H2
InChIKeyPLMILISJYMYUJQ-UHFFFAOYSA-N
XLogP4.22
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 86609011) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is Clc1ncc(CN2CC3(COc4cc5c(cc43)OCO5)c3ccccc32)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is PLMILISJYMYUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c21-19-22-7-12(27-19)8-23-9-20(13-3-1-2-4-15(13)23)10-24-16-6-18-17(5-14(16)20)25-11-26-18/h1-7H,8-11H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 398.87 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 86609011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).