(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C24H16N4O3S2 — CID 18808728

IUPAC(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4nc5ccccc5s4)o3)c(=O)n2n1
InChIInChI=1S/C24H16N4O3S2/c1-14-6-2-4-8-17(14)30-13-21-26-24-28(27-21)23(29)20(33-24)12-15-10-11-18(31-15)22-25-16-7-3-5-9-19(16)32-22/h2-12H,13H2,1H3/b20-12-
InChIKeyCSTBPRSLSHJNEL-NDENLUEZSA-N
MW472.55 g/mol
LogP4.46
Rot. Bonds5

About (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18808728) has the molecular formula C24H16N4O3S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18808728
Molecular FormulaC24H16N4O3S2
Molecular Weight472.55 g/mol
Exact Mass472.07
IUPAC Name(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4nc5ccccc5s4)o3)c(=O)n2n1
InChIInChI=1S/C24H16N4O3S2/c1-14-6-2-4-8-17(14)30-13-21-26-24-28(27-21)23(29)20(33-24)12-15-10-11-18(31-15)22-25-16-7-3-5-9-19(16)32-22/h2-12H,13H2,1H3/b20-12-
InChIKeyCSTBPRSLSHJNEL-NDENLUEZSA-N
XLogP4.46
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18808728) is (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4nc5ccccc5s4)o3)c(=O)n2n1.
What is the InChIKey of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CSTBPRSLSHJNEL-NDENLUEZSA-N. The full InChI is InChI=1S/C24H16N4O3S2/c1-14-6-2-4-8-17(14)30-13-21-26-24-28(27-21)23(29)20(33-24)12-15-10-11-18(31-15)22-25-16-7-3-5-9-19(16)32-22/h2-12H,13H2,1H3/b20-12-.
What are the key properties of (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 472.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-2-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18808728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).