2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol

C9H14N2OS — CID 130986972

IUPAC2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
SMILESCC1NCCCC1(O)c1ccsn1
InChIInChI=1S/C9H14N2OS/c1-7-9(12,4-2-5-10-7)8-3-6-13-11-8/h3,6-7,10,12H,2,4-5H2,1H3
InChIKeyZHZIFTDCNMETFB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol

2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol (PubChem CID 130986972) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
PubChem CID130986972
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
SMILESCC1NCCCC1(O)c1ccsn1
InChIInChI=1S/C9H14N2OS/c1-7-9(12,4-2-5-10-7)8-3-6-13-11-8/h3,6-7,10,12H,2,4-5H2,1H3
InChIKeyZHZIFTDCNMETFB-UHFFFAOYSA-N
XLogP1.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534552
Piperidin-4-yl(1,2-thiazol-3-yl)methanol
CID 126985700
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
1-Methyl-4-(1,2-thiazol-3-yl)azepan-4-ol
CID 130682472
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
1-Methyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 130704989
1-Amino-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130752218
2-Methyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 130898884
1-Amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130908848
6-Methyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 130941404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The IUPAC name of 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol (CID 130986972) is 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The canonical SMILES for 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol is CC1NCCCC1(O)c1ccsn1.
What is the InChIKey of 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The InChIKey is ZHZIFTDCNMETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-9(12,4-2-5-10-7)8-3-6-13-11-8/h3,6-7,10,12H,2,4-5H2,1H3.
What are the key properties of 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 130986972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).