(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C18H15N3O2S2 — CID 6089950

IUPAC(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCC(=O)c1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-12(22)13-4-6-14(7-5-13)20-10-19-18-21(11-20)17(23)16(25-18)9-15-3-2-8-24-15/h2-9H,10-11H2,1H3/b16-9-
InChIKeyNECGNWSKHADCDK-SXGWCWSVSA-N
MW369.47 g/mol
LogP2.06
Rot. Bonds3

About (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 6089950) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID6089950
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCC(=O)c1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-12(22)13-4-6-14(7-5-13)20-10-19-18-21(11-20)17(23)16(25-18)9-15-3-2-8-24-15/h2-9H,10-11H2,1H3/b16-9-
InChIKeyNECGNWSKHADCDK-SXGWCWSVSA-N
XLogP2.06
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 6089950) is (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is CC(=O)c1ccc(N2CN=c3s/c(=C\c4cccs4)c(=O)n3C2)cc1.
What is the InChIKey of (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is NECGNWSKHADCDK-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12(22)13-4-6-14(7-5-13)20-10-19-18-21(11-20)17(23)16(25-18)9-15-3-2-8-24-15/h2-9H,10-11H2,1H3/b16-9-.
What are the key properties of (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 369.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(4-acetylphenyl)-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 6089950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).