[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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Related Compounds

[4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441677
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82430536
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432994
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441695
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
CID 82441680
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655

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).