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

C11H19N3OS — CID 62754360

IUPAC[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)N1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C11H19N3OS/c1-9(2)13-3-5-14(6-4-13)11-12-7-10(8-15)16-11/h7,9,15H,3-6,8H2,1-2H3
InChIKeyZSVKOMQZTZBABO-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.17
Rot. Bonds3

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

[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62754360) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62754360
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)N1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C11H19N3OS/c1-9(2)13-3-5-14(6-4-13)11-12-7-10(8-15)16-11/h7,9,15H,3-6,8H2,1-2H3
InChIKeyZSVKOMQZTZBABO-UHFFFAOYSA-N
XLogP1.17
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Morpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 24229673
2-{1-Isopropyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16190392
1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
CID 55140587
[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752492
[2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752989
[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752999
[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753345
[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753683
[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
CID 62969517
[2-[Methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-5-yl]methanol
CID 65532124
[2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 65532130
[2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 65532136

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62754360) is [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CC(C)N1CCN(c2ncc(CO)s2)CC1.
What is the InChIKey of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ZSVKOMQZTZBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(2)13-3-5-14(6-4-13)11-12-7-10(8-15)16-11/h7,9,15H,3-6,8H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62754360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).