(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C19H16ClN3O2S — CID 1311270

IUPAC(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2/sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-25-16-8-2-13(3-9-16)10-17-18(24)23-12-22(11-21-19(23)26-17)15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3/b17-10+
InChIKeyCEPZIRGVYPRXDU-LICLKQGHSA-N
MW385.88 g/mol
LogP2.46
Rot. Bonds3

About (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1311270) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1311270
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2/sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-25-16-8-2-13(3-9-16)10-17-18(24)23-12-22(11-21-19(23)26-17)15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3/b17-10+
InChIKeyCEPZIRGVYPRXDU-LICLKQGHSA-N
XLogP2.46
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1842471
(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1384783
3-(4-methoxyphenyl)-7-(phenylmethylene)-2H,4H-1,3-thiazolidino[3,2-e]1,3,5-tri azin-6-one
CID 1605277
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811
(7E)-7-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155514121
(7E)-7-[(4-fluorophenyl)methylidene]-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155522113
(Z)-3-(3-fluorophenyl)-7-(4-methoxybenzylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1386632
(7E)-7-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 98207021
(5Z)-3-(4-chlorophenyl)-2-imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 118732629
(7E)-7-[(2-chlorophenyl)methylidene]-3-(4-methoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155516165
(5Z)-N-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155561790
5-[(4-Methoxyphenyl)methylene]-3-phenyl-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 1560309

Frequently Asked Questions

What is the IUPAC name of (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1311270) is (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is COc1ccc(/C=c2/sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)cc1.
What is the InChIKey of (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is CEPZIRGVYPRXDU-LICLKQGHSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-25-16-8-2-13(3-9-16)10-17-18(24)23-12-22(11-21-19(23)26-17)15-6-4-14(20)5-7-15/h2-10H,11-12H2,1H3/b17-10+.
What are the key properties of (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 385.88 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1311270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).