[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol

C13H22N2O2S — CID 82441519

IUPAC[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CN2CCCC(C)C2)sc1CO
InChIInChI=1S/C13H22N2O2S/c1-10-4-3-5-15(6-10)7-13-14-11(9-17-2)12(8-16)18-13/h10,16H,3-9H2,1-2H3
InChIKeyADUKECVZOSZBCJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.01
Rot. Bonds5

About [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol

[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82441519) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82441519
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CN2CCCC(C)C2)sc1CO
InChIInChI=1S/C13H22N2O2S/c1-10-4-3-5-15(6-10)7-13-14-11(9-17-2)12(8-16)18-13/h10,16H,3-9H2,1-2H3
InChIKeyADUKECVZOSZBCJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol (CID 82441519) is [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol is COCc1nc(CN2CCCC(C)C2)sc1CO.
What is the InChIKey of [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is ADUKECVZOSZBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-4-3-5-15(6-10)7-13-14-11(9-17-2)12(8-16)18-13/h10,16H,3-9H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82441519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).