(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol

C11H19N3OS — CID 103906591

IUPAC(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CNC1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N3OS/c1-9(15)8-13-10-2-5-14(6-3-10)11-12-4-7-16-11/h4,7,9-10,13,15H,2-3,5-6,8H2,1H3/t9-/m0/s1
InChIKeyMEMXLWDGJUDNSF-VIFPVBQESA-N
MW241.36 g/mol
LogP1.08
Rot. Bonds4

About (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol

(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 103906591) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
PubChem CID103906591
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CNC1CCN(c2nccs2)CC1
InChIInChI=1S/C11H19N3OS/c1-9(15)8-13-10-2-5-14(6-3-10)11-12-4-7-16-11/h4,7,9-10,13,15H,2-3,5-6,8H2,1H3/t9-/m0/s1
InChIKeyMEMXLWDGJUDNSF-VIFPVBQESA-N
XLogP1.08
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348201
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol (CID 103906591) is (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol is C[C@H](O)CNC1CCN(c2nccs2)CC1.
What is the InChIKey of (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is MEMXLWDGJUDNSF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(15)8-13-10-2-5-14(6-3-10)11-12-4-7-16-11/h4,7,9-10,13,15H,2-3,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 103906591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).