(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol

C9H14N2OS — CID 115089880

IUPAC(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H14N2OS/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2
InChIKeyGHLNFLOIGJPSDO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.10
Rot. Bonds2

About (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol

(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol (PubChem CID 115089880) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
PubChem CID115089880
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H14N2OS/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2
InChIKeyGHLNFLOIGJPSDO-UHFFFAOYSA-N
XLogP1.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol (CID 115089880) is (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol is OCc1cnc(C2CCNCC2)s1.
What is the InChIKey of (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is GHLNFLOIGJPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7/h5,7,10,12H,1-4,6H2.
What are the key properties of (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-4-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 115089880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).