ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate

C16H16ClNO2S2 — CID 139915513

IUPACethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC(Cc3cccc(Cl)c3)=CN2CCS1
InChIInChI=1S/C16H16ClNO2S2/c1-2-20-16(19)14-15-18(6-7-21-14)10-13(22-15)9-11-4-3-5-12(17)8-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyNSOTUSKDMJDJSC-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.25
Rot. Bonds4

About ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate

ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (PubChem CID 139915513) has the molecular formula C16H16ClNO2S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
PubChem CID139915513
Molecular FormulaC16H16ClNO2S2
Molecular Weight353.90 g/mol
Exact Mass353.03
IUPAC Nameethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC(Cc3cccc(Cl)c3)=CN2CCS1
InChIInChI=1S/C16H16ClNO2S2/c1-2-20-16(19)14-15-18(6-7-21-14)10-13(22-15)9-11-4-3-5-12(17)8-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyNSOTUSKDMJDJSC-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate with MolForge

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Related Compounds

ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 165177655
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 4-(3-chlorophenyl)-2,2-difluoro-3-oxobutanoate
CID 55071448
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
ethyl 6-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55362199
ethyl 2-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]methyl]benzoate
CID 14368687
ethyl 5-amino-1-[(3-chlorophenyl)methyl]imidazole-4-carboxylate
CID 55086211
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 4-[4-[(3-chlorophenyl)methylamino]-1,7-dihydropyrrolo[2,3-c]pyridin-6-yl]benzoate
CID 69158219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The IUPAC name of ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (CID 139915513) is ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.
What is the SMILES notation for ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The canonical SMILES for ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is CCOC(=O)C1=C2SC(Cc3cccc(Cl)c3)=CN2CCS1.
What is the InChIKey of ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The InChIKey is NSOTUSKDMJDJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S2/c1-2-20-16(19)14-15-18(6-7-21-14)10-13(22-15)9-11-4-3-5-12(17)8-11/h3-5,8,10H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate has a molecular weight of 353.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorophenyl)methyl]-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is sourced from PubChem (CID 139915513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).