[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol

C13H22N2O2S — CID 55066669

IUPAC[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCOCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-11-14-12(8-18-11)7-15(2)9-13(10-16)3-5-17-6-4-13/h8,16H,3-7,9-10H2,1-2H3
InChIKeyWUZVPAJBFHTFMY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.67
Rot. Bonds5

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

[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol (PubChem CID 55066669) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol
PubChem CID55066669
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCOCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-11-14-12(8-18-11)7-15(2)9-13(10-16)3-5-17-6-4-13/h8,16H,3-7,9-10H2,1-2H3
InChIKeyWUZVPAJBFHTFMY-UHFFFAOYSA-N
XLogP1.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol (CID 55066669) is [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol is Cc1nc(CN(C)CC2(CO)CCOCC2)cs1.
What is the InChIKey of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is WUZVPAJBFHTFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11-14-12(8-18-11)7-15(2)9-13(10-16)3-5-17-6-4-13/h8,16H,3-7,9-10H2,1-2H3.
What are the key properties of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 55066669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).