[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol

C11H20N4O2S — CID 122565094

IUPAC[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
SMILESCN(C)c1nsc(NCC2(CO)CCOCC2)n1
InChIInChI=1S/C11H20N4O2S/c1-15(2)9-13-10(18-14-9)12-7-11(8-16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyDCQKVTCZIGQXEW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.81
Rot. Bonds5

About [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol

[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol (PubChem CID 122565094) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
PubChem CID122565094
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
SMILESCN(C)c1nsc(NCC2(CO)CCOCC2)n1
InChIInChI=1S/C11H20N4O2S/c1-15(2)9-13-10(18-14-9)12-7-11(8-16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyDCQKVTCZIGQXEW-UHFFFAOYSA-N
XLogP0.81
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol (CID 122565094) is [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol is CN(C)c1nsc(NCC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is DCQKVTCZIGQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15(2)9-13-10(18-14-9)12-7-11(8-16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol?
[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 272.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122565094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).