N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide

C19H21F2N5O3S2 — CID 118435495

IUPACN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide
SMILESC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(C)(F)F)cn3)cs2)CO1
InChIInChI=1S/C19H21F2N5O3S2/c1-10-5-11-7-31-17(22)26-19(11,9-28-10)16-25-14(8-30-16)24-15(27)13-4-3-12(6-23-13)29-18(2,20)21/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1
InChIKeyVDCUDRLINVFMIC-ADWYPQAOSA-N
MW469.54 g/mol
LogP3.46
Rot. Bonds5

About N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide (PubChem CID 118435495) has the molecular formula C19H21F2N5O3S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide
PubChem CID118435495
Molecular FormulaC19H21F2N5O3S2
Molecular Weight469.54 g/mol
Exact Mass469.11
IUPAC NameN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide
SMILESC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(C)(F)F)cn3)cs2)CO1
InChIInChI=1S/C19H21F2N5O3S2/c1-10-5-11-7-31-17(22)26-19(11,9-28-10)16-25-14(8-30-16)24-15(27)13-4-3-12(6-23-13)29-18(2,20)21/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1
InChIKeyVDCUDRLINVFMIC-ADWYPQAOSA-N
XLogP3.46
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide 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 N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide (CID 118435495) is N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide is C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(OC(C)(F)F)cn3)cs2)CO1.
What is the InChIKey of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide?
The InChIKey is VDCUDRLINVFMIC-ADWYPQAOSA-N. The full InChI is InChI=1S/C19H21F2N5O3S2/c1-10-5-11-7-31-17(22)26-19(11,9-28-10)16-25-14(8-30-16)24-15(27)13-4-3-12(6-23-13)29-18(2,20)21/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1.
What are the key properties of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide?
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118435495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).