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

C10H17N3OS — CID 79666984

IUPAC[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
SMILESCN1CCN(C)C(c2nc(CO)cs2)C1
InChIInChI=1S/C10H17N3OS/c1-12-3-4-13(2)9(5-12)10-11-8(6-14)7-15-10/h7,9,14H,3-6H2,1-2H3
InChIKeyFZEDVPQTZGLTFK-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.55
Rot. Bonds2

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

[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 79666984) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
PubChem CID79666984
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
SMILESCN1CCN(C)C(c2nc(CO)cs2)C1
InChIInChI=1S/C10H17N3OS/c1-12-3-4-13(2)9(5-12)10-11-8(6-14)7-15-10/h7,9,14H,3-6H2,1-2H3
InChIKeyFZEDVPQTZGLTFK-UHFFFAOYSA-N
XLogP0.55
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79666713
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
methyl 3-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107039750
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79667047
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840997
[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methanamine
CID 79088973
4-(chloromethyl)-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole
CID 79969137
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol (CID 79666984) is [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol is CN1CCN(C)C(c2nc(CO)cs2)C1.
What is the InChIKey of [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is FZEDVPQTZGLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-12-3-4-13(2)9(5-12)10-11-8(6-14)7-15-10/h7,9,14H,3-6H2,1-2H3.
What are the key properties of [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol?
[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 79666984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).