3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide

C15H19N3O4S2 — CID 99932392

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21
InChIInChI=1S/C15H19N3O4S2/c1-9-11(10(2)22-17-9)4-5-14(19)16-12-8-18(3)24(20,21)13-6-7-23-15(12)13/h6-7,12H,4-5,8H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyPYRQAPTTZYQMEH-GFCCVEGCSA-N
MW369.47 g/mol
LogP1.78
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide (PubChem CID 99932392) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide
PubChem CID99932392
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21
InChIInChI=1S/C15H19N3O4S2/c1-9-11(10(2)22-17-9)4-5-14(19)16-12-8-18(3)24(20,21)13-6-7-23-15(12)13/h6-7,12H,4-5,8H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyPYRQAPTTZYQMEH-GFCCVEGCSA-N
XLogP1.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide (CID 99932392) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide is Cc1noc(C)c1CCC(=O)N[C@@H]1CN(C)S(=O)(=O)c2ccsc21.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide?
The InChIKey is PYRQAPTTZYQMEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-9-11(10(2)22-17-9)4-5-14(19)16-12-8-18(3)24(20,21)13-6-7-23-15(12)13/h6-7,12H,4-5,8H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl]propanamide is sourced from PubChem (CID 99932392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).