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

C12H20N2OS — CID 115088115

IUPAC2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(CC2CCNCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(7-15)11-8-16-12(14-11)6-10-2-4-13-5-3-10/h8-10,13,15H,2-7H2,1H3
InChIKeyXUXBPGMAFVZDAP-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.78
Rot. Bonds4

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

2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 115088115) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID115088115
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(CC2CCNCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(7-15)11-8-16-12(14-11)6-10-2-4-13-5-3-10/h8-10,13,15H,2-7H2,1H3
InChIKeyXUXBPGMAFVZDAP-UHFFFAOYSA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088116
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088809
4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116968773
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116828962
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol (CID 115088115) is 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol is CC(CO)c1csc(CC2CCNCC2)n1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is XUXBPGMAFVZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(7-15)11-8-16-12(14-11)6-10-2-4-13-5-3-10/h8-10,13,15H,2-7H2,1H3.
What are the key properties of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol?
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 115088115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).