6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide

C19H18N2O4S2 — CID 2388857

IUPAC6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)26-19-20-27(22,23)12-11-21(17)19/h3-10H,11-12H2,1-2H3
InChIKeyTZKOLZOMCNWZAZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.28
Rot. Bonds4

About 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide

6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 2388857) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID2388857
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)26-19-20-27(22,23)12-11-21(17)19/h3-10H,11-12H2,1-2H3
InChIKeyTZKOLZOMCNWZAZ-UHFFFAOYSA-N
XLogP3.28
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (CID 2388857) is 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is COc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1.
What is the InChIKey of 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is TZKOLZOMCNWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-24-15-7-3-13(4-8-15)17-18(14-5-9-16(25-2)10-6-14)26-19-20-27(22,23)12-11-21(17)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 402.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 2388857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).