1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine

C14H23N3OS2 — CID 124738832

IUPAC1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc(CN2CCS[C@H]3COCC[C@@H]32)s1
InChIInChI=1S/C14H23N3OS2/c1-16(2)8-11-7-15-14(20-11)9-17-4-6-19-13-10-18-5-3-12(13)17/h7,12-13H,3-6,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyRSFSCGHFAPOKDX-STQMWFEESA-N
MW313.49 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine

1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 124738832) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
PubChem CID124738832
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc(CN2CCS[C@H]3COCC[C@@H]32)s1
InChIInChI=1S/C14H23N3OS2/c1-16(2)8-11-7-15-14(20-11)9-17-4-6-19-13-10-18-5-3-12(13)17/h7,12-13H,3-6,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyRSFSCGHFAPOKDX-STQMWFEESA-N
XLogP1.91
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[2-[[(4aR,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 124738830
1-[2-[[(4aS,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 124738829
1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 84593574
(4aS,8aS)-1-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 97144222
(4aS,8aS)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 97144198
1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 126838082
1-[(1-propylbenzimidazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 75515087
(4aS,8aS)-1-[(1-propylbenzimidazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 97144204
(4aS,8aS)-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 97018585
(4aR,8aS)-1-[(5-chloro-2-nitrophenyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine
CID 129382032
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 99716446
N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126811695

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine (CID 124738832) is 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1cnc(CN2CCS[C@H]3COCC[C@@H]32)s1.
What is the InChIKey of 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is RSFSCGHFAPOKDX-STQMWFEESA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-16(2)8-11-7-15-14(20-11)9-17-4-6-19-13-10-18-5-3-12(13)17/h7,12-13H,3-6,8-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 313.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 124738832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).