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

C13H23N3O2S — CID 82441695

IUPAC[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CCN2CCN(C)CC2)sc1CO
InChIInChI=1S/C13H23N3O2S/c1-15-5-7-16(8-6-15)4-3-13-14-11(10-18-2)12(9-17)19-13/h17H,3-10H2,1-2H3
InChIKeyUNNNQXNQFGFMKJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.57
Rot. Bonds6

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

[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82441695) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
PubChem CID82441695
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CCN2CCN(C)CC2)sc1CO
InChIInChI=1S/C13H23N3O2S/c1-15-5-7-16(8-6-15)4-3-13-14-11(10-18-2)12(9-17)19-13/h17H,3-10H2,1-2H3
InChIKeyUNNNQXNQFGFMKJ-UHFFFAOYSA-N
XLogP0.57
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (CID 82441695) is [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is COCc1nc(CCN2CCN(C)CC2)sc1CO.
What is the InChIKey of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is UNNNQXNQFGFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-15-5-7-16(8-6-15)4-3-13-14-11(10-18-2)12(9-17)19-13/h17H,3-10H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 285.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82441695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).