(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H19N3O3S — CID 126396449

IUPAC(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2nc3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n3c2cc1C
InChIInChI=1S/C20H19N3O3S/c1-12-9-15-16(10-13(12)2)23-19(24)17(27-20(23)21-15)11-14-3-4-18(26-14)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3/b17-11-
InChIKeyKFJIWJSKEJTLAE-BOPFTXTBSA-N
MW381.46 g/mol
LogP2.50
Rot. Bonds2

About (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 126396449) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID126396449
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2nc3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n3c2cc1C
InChIInChI=1S/C20H19N3O3S/c1-12-9-15-16(10-13(12)2)23-19(24)17(27-20(23)21-15)11-14-3-4-18(26-14)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3/b17-11-
InChIKeyKFJIWJSKEJTLAE-BOPFTXTBSA-N
XLogP2.50
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 126396449) is (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc2nc3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n3c2cc1C.
What is the InChIKey of (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is KFJIWJSKEJTLAE-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-9-15-16(10-13(12)2)23-19(24)17(27-20(23)21-15)11-14-3-4-18(26-14)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3/b17-11-.
What are the key properties of (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 381.46 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6,7-dimethyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 126396449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).