(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C24H19N3O2S — CID 10873363

IUPAC(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccccc5)c(=O)n4n3)ccc2c1
InChIInChI=1S/C24H19N3O2S/c1-15(17-8-9-19-14-20(29-2)11-10-18(19)13-17)22-25-24-27(26-22)23(28)21(30-24)12-16-6-4-3-5-7-16/h3-15H,1-2H3/b21-12-/t15-/m0/s1
InChIKeyLGBLLSBMDQRRGY-RANIVTSPSA-N
MW413.50 g/mol
LogP4.01
Rot. Bonds4

About (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 10873363) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID10873363
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccccc5)c(=O)n4n3)ccc2c1
InChIInChI=1S/C24H19N3O2S/c1-15(17-8-9-19-14-20(29-2)11-10-18(19)13-17)22-25-24-27(26-22)23(28)21(30-24)12-16-6-4-3-5-7-16/h3-15H,1-2H3/b21-12-/t15-/m0/s1
InChIKeyLGBLLSBMDQRRGY-RANIVTSPSA-N
XLogP4.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(Z)-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 118729075
(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10715381
(5Z)-2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6156290
(5Z)-5-[(3-bromophenyl)methylidene]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 11798489
6-benzyl-2-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3805401
(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2141670
2-(2-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3788048
2-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1326850
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3789244
(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1335038
(5E)-5-benzylidene-2-[3-[(5E)-5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10007247
acetic acid;pentakis((5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one)
CID 163330567

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 10873363) is (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccccc5)c(=O)n4n3)ccc2c1.
What is the InChIKey of (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is LGBLLSBMDQRRGY-RANIVTSPSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-15(17-8-9-19-14-20(29-2)11-10-18(19)13-17)22-25-24-27(26-22)23(28)21(30-24)12-16-6-4-3-5-7-16/h3-15H,1-2H3/b21-12-/t15-/m0/s1.
What are the key properties of (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 413.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 10873363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).