(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one

C15H18N4OS — CID 15853548

IUPAC(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one
SMILESCCC1(CC)NN=c2s/c(=C\c3ccccc3)c(=O)n2N1
InChIInChI=1S/C15H18N4OS/c1-3-15(4-2)17-16-14-19(18-15)13(20)12(21-14)10-11-8-6-5-7-9-11/h5-10,17-18H,3-4H2,1-2H3/b12-10-
InChIKeyUYVVTGLNYSJRFC-BENRWUELSA-N
MW302.40 g/mol
LogP0.94
Rot. Bonds3

About (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one

(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one (PubChem CID 15853548) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one.

Molecular Properties

Compound Name(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one
PubChem CID15853548
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one
SMILESCCC1(CC)NN=c2s/c(=C\c3ccccc3)c(=O)n2N1
InChIInChI=1S/C15H18N4OS/c1-3-15(4-2)17-16-14-19(18-15)13(20)12(21-14)10-11-8-6-5-7-9-11/h5-10,17-18H,3-4H2,1-2H3/b12-10-
InChIKeyUYVVTGLNYSJRFC-BENRWUELSA-N
XLogP0.94
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one?
The IUPAC name of (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one (CID 15853548) is (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one.
What is the SMILES notation for (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one?
The canonical SMILES for (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one is CCC1(CC)NN=c2s/c(=C\c3ccccc3)c(=O)n2N1.
What is the InChIKey of (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one?
The InChIKey is UYVVTGLNYSJRFC-BENRWUELSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-15(4-2)17-16-14-19(18-15)13(20)12(21-14)10-11-8-6-5-7-9-11/h5-10,17-18H,3-4H2,1-2H3/b12-10-.
What are the key properties of (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one?
(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one has a molecular weight of 302.40 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one is sourced from PubChem (CID 15853548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).