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]-1-(2-methoxyethyl)pyrazole-3-carboxamide

C18H24N6O3S2 — CID 118435400

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]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n1
InChIInChI=1S/C18H24N6O3S2/c1-11-7-12-8-29-17(19)22-18(12,10-27-11)16-21-14(9-28-16)20-15(25)13-3-4-24(23-13)5-6-26-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1
InChIKeyVXUZLGFPTHMPDO-PZROIBLQSA-N
MW436.56 g/mol
LogP1.92
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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 118435400) has the molecular formula C18H24N6O3S2 and a molecular weight of 436.56 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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID118435400
Molecular FormulaC18H24N6O3S2
Molecular Weight436.56 g/mol
Exact Mass436.14
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]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n1
InChIInChI=1S/C18H24N6O3S2/c1-11-7-12-8-29-17(19)22-18(12,10-27-11)16-21-14(9-28-16)20-15(25)13-3-4-24(23-13)5-6-26-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/m0/s1
InChIKeyVXUZLGFPTHMPDO-PZROIBLQSA-N
XLogP1.92
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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]-1-(2-methoxyethyl)pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US9605007, Example 4
CID 118435363
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]-1-(difluoromethyl)-4-methylpyrazole-3-carboxamide
CID 91971333
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 118435366
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]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 118435438
US9605007, Example 6
CID 118435455
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 118435457
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]pyrimidine-4-carboxamide
CID 118435526
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]-1-prop-2-ynylpyrazole-3-carboxamide
CID 118435537
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]-1-methylpyrazole-3-carboxamide
CID 118435557
US9744173, Example 4
CID 118435575
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]-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 118435578
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]-2,5-dimethylpyrazole-3-carboxamide
CID 118435589

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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-carboxamide (CID 118435400) 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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-carboxamide is COCCn1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n1.
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]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is VXUZLGFPTHMPDO-PZROIBLQSA-N. The full InChI is InChI=1S/C18H24N6O3S2/c1-11-7-12-8-29-17(19)22-18(12,10-27-11)16-21-14(9-28-16)20-15(25)13-3-4-24(23-13)5-6-26-2/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,22)(H,20,25)/t11-,12-,18-/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]-1-(2-methoxyethyl)pyrazole-3-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]-1-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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]-1-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).