2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol

C19H32N4O5S2 — CID 137048869

IUPAC2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
SMILESCCC1OC2S/C(=N\C)NC2CC1OOC(C)C1OC2SC(N(C)C)=NC2CC1O
InChIInChI=1S/C19H32N4O5S2/c1-6-13-14(8-11-16(25-13)29-18(20-3)21-11)28-27-9(2)15-12(24)7-10-17(26-15)30-19(22-10)23(4)5/h9-17,24H,6-8H2,1-5H3,(H,20,21)
InChIKeySYTVRAHZDOQOKM-UHFFFAOYSA-N
MW460.62 g/mol
LogP1.42
Rot. Bonds5

About 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol

2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol (PubChem CID 137048869) has the molecular formula C19H32N4O5S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
PubChem CID137048869
Molecular FormulaC19H32N4O5S2
Molecular Weight460.62 g/mol
Exact Mass460.18
IUPAC Name2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
SMILESCCC1OC2S/C(=N\C)NC2CC1OOC(C)C1OC2SC(N(C)C)=NC2CC1O
InChIInChI=1S/C19H32N4O5S2/c1-6-13-14(8-11-16(25-13)29-18(20-3)21-11)28-27-9(2)15-12(24)7-10-17(26-15)30-19(22-10)23(4)5/h9-17,24H,6-8H2,1-5H3,(H,20,21)
InChIKeySYTVRAHZDOQOKM-UHFFFAOYSA-N
XLogP1.42
TPSA97.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol 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 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol (CID 137048869) is 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol is CCC1OC2S/C(=N\C)NC2CC1OOC(C)C1OC2SC(N(C)C)=NC2CC1O.
What is the InChIKey of 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The InChIKey is SYTVRAHZDOQOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5S2/c1-6-13-14(8-11-16(25-13)29-18(20-3)21-11)28-27-9(2)15-12(24)7-10-17(26-15)30-19(22-10)23(4)5/h9-17,24H,6-8H2,1-5H3,(H,20,21).
What are the key properties of 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol has a molecular weight of 460.62 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[1-[(5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-yl)peroxy]ethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 137048869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).