(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol

C12H21N3OS — CID 95766441

IUPAC(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cscn2)C[C@@H]1C
InChIInChI=1S/C12H21N3OS/c1-10-5-14(7-12-8-17-9-13-12)3-4-15(10)6-11(2)16/h8-11,16H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyCEYKKMCUQIFMFJ-WDEREUQCSA-N
MW255.39 g/mol
LogP1.03
Rot. Bonds4

About (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol

(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 95766441) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID95766441
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(Cc2cscn2)C[C@@H]1C
InChIInChI=1S/C12H21N3OS/c1-10-5-14(7-12-8-17-9-13-12)3-4-15(10)6-11(2)16/h8-11,16H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyCEYKKMCUQIFMFJ-WDEREUQCSA-N
XLogP1.03
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

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CID 124776706
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124730795
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
(2S)-1-[(2R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768813
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98767218
(2S)-1-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124836078
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol (CID 95766441) is (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(Cc2cscn2)C[C@@H]1C.
What is the InChIKey of (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is CEYKKMCUQIFMFJ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-5-14(7-12-8-17-9-13-12)3-4-15(10)6-11(2)16/h8-11,16H,3-7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 255.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95766441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).