(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H14N2O3S — CID 6221358

IUPAC(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1cccc2c1OCC(/C=c1\sc3nc4ccccc4n3c1=O)=C2
InChIInChI=1S/C20H14N2O3S/c1-24-16-8-4-5-13-9-12(11-25-18(13)16)10-17-19(23)22-15-7-3-2-6-14(15)21-20(22)26-17/h2-10H,11H2,1H3/b17-10-
InChIKeyXTFKOSMYZNTBAT-YVLHZVERSA-N
MW362.41 g/mol
LogP2.89
Rot. Bonds2

About (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 6221358) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID6221358
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1cccc2c1OCC(/C=c1\sc3nc4ccccc4n3c1=O)=C2
InChIInChI=1S/C20H14N2O3S/c1-24-16-8-4-5-13-9-12(11-25-18(13)16)10-17-19(23)22-15-7-3-2-6-14(15)21-20(22)26-17/h2-10H,11H2,1H3/b17-10-
InChIKeyXTFKOSMYZNTBAT-YVLHZVERSA-N
XLogP2.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 684666
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
(2Z)-2-[[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6264320
(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1005041
(2Z)-2-[(5-iodo-2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1049657
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1102871
(5Z)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838101
2-[[3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2927809
(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124536900

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 6221358) is (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is COc1cccc2c1OCC(/C=c1\sc3nc4ccccc4n3c1=O)=C2.
What is the InChIKey of (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is XTFKOSMYZNTBAT-YVLHZVERSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-24-16-8-4-5-13-9-12(11-25-18(13)16)10-17-19(23)22-15-7-3-2-6-14(15)21-20(22)26-17/h2-10H,11H2,1H3/b17-10-.
What are the key properties of (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 362.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(8-methoxy-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 6221358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).