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

C16H25N5OS — CID 124730795

IUPAC(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@H]1C
InChIInChI=1S/C16H25N5OS/c1-12-7-20(4-5-21(12)8-13(2)22)10-15-11-23-16(18-15)14-6-17-19(3)9-14/h6,9,11-13,22H,4-5,7-8,10H2,1-3H3/t12-,13+/m1/s1
InChIKeyIADAZJYIFDWMFB-OLZOCXBDSA-N
MW335.48 g/mol
LogP1.43
Rot. Bonds5

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

(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 124730795) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID124730795
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@H]1C
InChIInChI=1S/C16H25N5OS/c1-12-7-20(4-5-21(12)8-13(2)22)10-15-11-23-16(18-15)14-6-17-19(3)9-14/h6,9,11-13,22H,4-5,7-8,10H2,1-3H3/t12-,13+/m1/s1
InChIKeyIADAZJYIFDWMFB-OLZOCXBDSA-N
XLogP1.43
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
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(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
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(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
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4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
3-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (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) is (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(Cc2csc(-c3cnn(C)c3)n2)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is IADAZJYIFDWMFB-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-12-7-20(4-5-21(12)8-13(2)22)10-15-11-23-16(18-15)14-6-17-19(3)9-14/h6,9,11-13,22H,4-5,7-8,10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 335.48 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124730795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).