2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol

C12H21N3OS — CID 82427948

IUPAC2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(N2CCN(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C12H21N3OS/c1-9-10(12(2,3)16)17-11(13-9)15-7-5-14(4)6-8-15/h16H,5-8H2,1-4H3
InChIKeyXTBSKXZGQNJVNF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.43
Rot. Bonds2

About 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82427948) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82427948
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(N2CCN(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C12H21N3OS/c1-9-10(12(2,3)16)17-11(13-9)15-7-5-14(4)6-8-15/h16H,5-8H2,1-4H3
InChIKeyXTBSKXZGQNJVNF-UHFFFAOYSA-N
XLogP1.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435668
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514922
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174550493
2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 10681584
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570720
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol (CID 82427948) is 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(N2CCN(C)CC2)sc1C(C)(C)O.
What is the InChIKey of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is XTBSKXZGQNJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-10(12(2,3)16)17-11(13-9)15-7-5-14(4)6-8-15/h16H,5-8H2,1-4H3.
What are the key properties of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 255.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82427948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).