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-difluoropropoxy)pyridine-2-carboxamide

C20H23F2N5O3S2 — CID 118435378

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-difluoropropoxy)pyridine-2-carboxamide
SMILESCCC(F)(F)Oc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)nc1
InChIInChI=1S/C20H23F2N5O3S2/c1-3-20(21,22)30-13-4-5-14(24-7-13)16(28)25-15-9-31-17(26-15)19-10-29-11(2)6-12(19)8-32-18(23)27-19/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12-,19-/m0/s1
InChIKeyAMSWUGMEUOIFFW-ZKTNFTSUSA-N
MW483.57 g/mol
LogP3.85
Rot. Bonds6

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-difluoropropoxy)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-difluoropropoxy)pyridine-2-carboxamide (PubChem CID 118435378) has the molecular formula C20H23F2N5O3S2 and a molecular weight of 483.57 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-difluoropropoxy)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-difluoropropoxy)pyridine-2-carboxamide
PubChem CID118435378
Molecular FormulaC20H23F2N5O3S2
Molecular Weight483.57 g/mol
Exact Mass483.12
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-difluoropropoxy)pyridine-2-carboxamide
SMILESCCC(F)(F)Oc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)nc1
InChIInChI=1S/C20H23F2N5O3S2/c1-3-20(21,22)30-13-4-5-14(24-7-13)16(28)25-15-9-31-17(26-15)19-10-29-11(2)6-12(19)8-32-18(23)27-19/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12-,19-/m0/s1
InChIKeyAMSWUGMEUOIFFW-ZKTNFTSUSA-N
XLogP3.85
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.85
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-difluoropropoxy)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-difluoropropoxy)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-difluoropropoxy)pyridine-2-carboxamide (CID 118435378) 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-difluoropropoxy)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-difluoropropoxy)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-difluoropropoxy)pyridine-2-carboxamide is CCC(F)(F)Oc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)nc1.
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-difluoropropoxy)pyridine-2-carboxamide?
The InChIKey is AMSWUGMEUOIFFW-ZKTNFTSUSA-N. The full InChI is InChI=1S/C20H23F2N5O3S2/c1-3-20(21,22)30-13-4-5-14(24-7-13)16(28)25-15-9-31-17(26-15)19-10-29-11(2)6-12(19)8-32-18(23)27-19/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12-,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-difluoropropoxy)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-difluoropropoxy)pyridine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.85, 6 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-difluoropropoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118435378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).