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

C17H18N2O3S2 — CID 139915502

IUPACethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC=C(CC(=O)Nc3ccccc3)N2CCS1
InChIInChI=1S/C17H18N2O3S2/c1-2-22-17(21)15-16-19(8-9-23-15)13(11-24-16)10-14(20)18-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)
InChIKeyCDMRVZXNZGQRCF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.38
Rot. Bonds5

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

ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (PubChem CID 139915502) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
PubChem CID139915502
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Nameethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
SMILESCCOC(=O)C1=C2SC=C(CC(=O)Nc3ccccc3)N2CCS1
InChIInChI=1S/C17H18N2O3S2/c1-2-22-17(21)15-16-19(8-9-23-15)13(11-24-16)10-14(20)18-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20)
InChIKeyCDMRVZXNZGQRCF-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The IUPAC name of ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate (CID 139915502) is ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate.
What is the SMILES notation for ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The canonical SMILES for ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is CCOC(=O)C1=C2SC=C(CC(=O)Nc3ccccc3)N2CCS1.
What is the InChIKey of ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
The InChIKey is CDMRVZXNZGQRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-2-22-17(21)15-16-19(8-9-23-15)13(11-24-16)10-14(20)18-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,18,20).
What are the key properties of ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate?
ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate has a molecular weight of 362.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate is sourced from PubChem (CID 139915502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).