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

C12H21N3O2S — CID 107511051

IUPAC[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N2CCN(C)C(C)C2)sc1CO
InChIInChI=1S/C12H21N3O2S/c1-9-6-15(5-4-14(9)2)12-13-10(8-17-3)11(7-16)18-12/h9,16H,4-8H2,1-3H3
InChIKeyXFGVPBALEATQHQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.92
Rot. Bonds4

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

[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 107511051) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID107511051
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N2CCN(C)C(C)C2)sc1CO
InChIInChI=1S/C12H21N3O2S/c1-9-6-15(5-4-14(9)2)12-13-10(8-17-3)11(7-16)18-12/h9,16H,4-8H2,1-3H3
InChIKeyXFGVPBALEATQHQ-UHFFFAOYSA-N
XLogP0.92
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 107511144
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510387
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511034
[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511149
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
[4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441677
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63620869
1-[2-(3,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510754
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511124
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 107511051) is [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(N2CCN(C)C(C)C2)sc1CO.
What is the InChIKey of [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is XFGVPBALEATQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-6-15(5-4-14(9)2)12-13-10(8-17-3)11(7-16)18-12/h9,16H,4-8H2,1-3H3.
What are the key properties of [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 271.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 107511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).