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

C14H25N3OS — CID 82435668

IUPAC2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C14H25N3OS/c1-10(2)11-12(14(3,4)18)19-13(15-11)17-8-6-16(5)7-9-17/h10,18H,6-9H2,1-5H3
InChIKeySXDAUFGOOGHLBZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.25
Rot. Bonds3

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

2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82435668) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82435668
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1C(C)(C)O
InChIInChI=1S/C14H25N3OS/c1-10(2)11-12(14(3,4)18)19-13(15-11)17-8-6-16(5)7-9-17/h10,18H,6-9H2,1-5H3
InChIKeySXDAUFGOOGHLBZ-UHFFFAOYSA-N
XLogP2.25
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427948
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381520
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514922
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82434742
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 79393186
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (CID 82435668) is 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is CC(C)c1nc(N2CCN(C)CC2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is SXDAUFGOOGHLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)11-12(14(3,4)18)19-13(15-11)17-8-6-16(5)7-9-17/h10,18H,6-9H2,1-5H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82435668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).