(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C23H23N3OS — CID 10715381

IUPAC(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)Cc1ccc(C(C)c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C23H23N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)21-24-23-26(25-21)22(27)20(28-23)14-17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3/b20-14-
InChIKeyRTVLKFXEISXXDE-ZHZULCJRSA-N
MW389.52 g/mol
LogP4.05
Rot. Bonds5

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

(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 10715381) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID10715381
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(C)Cc1ccc(C(C)c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C23H23N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)21-24-23-26(25-21)22(27)20(28-23)14-17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3/b20-14-
InChIKeyRTVLKFXEISXXDE-ZHZULCJRSA-N
XLogP4.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(5E)-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 51034278
(2Z)-6-benzyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1416188
7-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 51463304
(2Z)-2-benzylidene-6-[(4-chlorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6017214
(5Z)-2-benzyl-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852896
(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
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 750691
(2E)-2-benzylidene-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 727885
(5Z)-5-benzylidene-2-(2-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6518745
[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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 10715381) is (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC(C)Cc1ccc(C(C)c2nc3s/c(=C\c4ccccc4)c(=O)n3n2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is RTVLKFXEISXXDE-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-15(2)13-18-9-11-19(12-10-18)16(3)21-24-23-26(25-21)22(27)20(28-23)14-17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3/b20-14-.
What are the key properties of (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 389.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 10715381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).