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

C9H15N3OS — CID 62754344

IUPAC[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)9-10-6-8(7-13)14-9/h6,13H,2-5,7H2,1H3
InChIKeyCGQVHDDJMKVOSO-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.39
Rot. Bonds2

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

[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62754344) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62754344
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)9-10-6-8(7-13)14-9/h6,13H,2-5,7H2,1H3
InChIKeyCGQVHDDJMKVOSO-UHFFFAOYSA-N
XLogP0.39
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62754344) is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CN1CCN(c2ncc(CO)s2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CGQVHDDJMKVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)9-10-6-8(7-13)14-9/h6,13H,2-5,7H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 213.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).