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

C12H11ClN2O3S2 — CID 8891626

IUPAC6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCOc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1Cl
InChIInChI=1S/C12H11ClN2O3S2/c1-18-11-3-2-8(6-9(11)13)10-7-19-12-14-20(16,17)5-4-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyAMZQBBKAACWOGJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.40
Rot. Bonds2

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

6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 8891626) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID8891626
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
SMILESCOc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1Cl
InChIInChI=1S/C12H11ClN2O3S2/c1-18-11-3-2-8(6-9(11)13)10-7-19-12-14-20(16,17)5-4-15(10)12/h2-3,6-7H,4-5H2,1H3
InChIKeyAMZQBBKAACWOGJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide with MolForge

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Related Compounds

3-(3-Chloro-4-methoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 720498
3-(3-Chloro-4-ethoxy-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
CID 715067
3-(3-Chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 2041467
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-(pentyloxy)phenyl)-, monohydrochloride
CID 3074652
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-propoxyphenyl)-, monohydrochloride
CID 3067940
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-butoxy-3-chlorophenyl)-, monohydrochloride
CID 3067941
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-(hexyloxy)phenyl)-, monohydrochloride
CID 3074654
3-(3-Chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 3074653
Imidazo[2,1-b]thiazole, 3-(4-butoxy-3-chlorophenyl)-5,6-dihydro-
CID 3067942
6-[4-(Trifluoromethoxy)phenyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
CID 117735353
6-[4-(Difluoromethoxy)phenyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
CID 1536935
3-(3-Chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 3074655

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide (CID 8891626) is 6-(3-chloro-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-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is COc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is AMZQBBKAACWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-18-11-3-2-8(6-9(11)13)10-7-19-12-14-20(16,17)5-4-15(10)12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide?
6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 330.82 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 8891626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).