N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

C16H18F2N2O2S — CID 135189062

IUPACN-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
SMILESCC(F)(F)[C@H]1OC[C@]2(C)N=C(NC(=O)c3ccccc3)SC[C@H]12
InChIInChI=1S/C16H18F2N2O2S/c1-15-9-22-12(16(2,17)18)11(15)8-23-14(20-15)19-13(21)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,19,20,21)/t11-,12+,15+/m1/s1
InChIKeyXFOZEOKUOGYRTD-XUJVJEKNSA-N
MW340.40 g/mol
LogP2.95
Rot. Bonds2

About N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide (PubChem CID 135189062) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
PubChem CID135189062
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
SMILESCC(F)(F)[C@H]1OC[C@]2(C)N=C(NC(=O)c3ccccc3)SC[C@H]12
InChIInChI=1S/C16H18F2N2O2S/c1-15-9-22-12(16(2,17)18)11(15)8-23-14(20-15)19-13(21)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,19,20,21)/t11-,12+,15+/m1/s1
InChIKeyXFOZEOKUOGYRTD-XUJVJEKNSA-N
XLogP2.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4aS,5R)-5-ethyl-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 70259655
N-[(4aR,5S,8aS)-8a-(2-fluoro-5-nitrophenyl)-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 68589859
N-[(4aS,5S,7aS)-7a-(5-bromo-2-fluorophenyl)-5-ethenyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 152739445
N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methylcyclopropyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90253573
N-[(4aS,5S,7aS)-7a-(5-bromo-2-fluorophenyl)-5-(cyclopropanecarbonyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 122502837
tert-butyl N-[[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carbonyl]amino]carbamate
CID 123463338
N-[7a-[2-fluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 88949631
N-[(4aS,5S,7aS)-7a-[5-[(Z)-2-(5-cyanopyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(trifluoromethylsulfonyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 135125569
N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 118435542
N-[8a-(4-bromo-1,3-thiazol-2-yl)-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 126715754
N-[8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 123401545
N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-[(1R,2R)-2-methylcyclopropyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90253535

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The IUPAC name of N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide (CID 135189062) is N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide.
What is the SMILES notation for N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The canonical SMILES for N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide is CC(F)(F)[C@H]1OC[C@]2(C)N=C(NC(=O)c3ccccc3)SC[C@H]12.
What is the InChIKey of N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The InChIKey is XFOZEOKUOGYRTD-XUJVJEKNSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-15-9-22-12(16(2,17)18)11(15)8-23-14(20-15)19-13(21)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,19,20,21)/t11-,12+,15+/m1/s1.
What are the key properties of N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,5S,7aR)-5-(1,1-difluoroethyl)-7a-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide is sourced from PubChem (CID 135189062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).