2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol

C18H28N4OS — CID 46980483

IUPAC2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCCCC2)s1
InChIInChI=1S/C18H28N4OS/c1-18(2,13-23)7-6-10-22-14-19-11-15(22)16-12-20-17(24-16)21-8-4-3-5-9-21/h11-12,14,23H,3-10,13H2,1-2H3
InChIKeyROSDDLGYNZIMDX-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.80
Rot. Bonds7

About 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol

2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol (PubChem CID 46980483) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
PubChem CID46980483
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCCCC2)s1
InChIInChI=1S/C18H28N4OS/c1-18(2,13-23)7-6-10-22-14-19-11-15(22)16-12-20-17(24-16)21-8-4-3-5-9-21/h11-12,14,23H,3-10,13H2,1-2H3
InChIKeyROSDDLGYNZIMDX-UHFFFAOYSA-N
XLogP3.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol (CID 46980483) is 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol is CC(C)(CO)CCCn1cncc1-c1cnc(N2CCCCC2)s1.
What is the InChIKey of 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The InChIKey is ROSDDLGYNZIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-18(2,13-23)7-6-10-22-14-19-11-15(22)16-12-20-17(24-16)21-8-4-3-5-9-21/h11-12,14,23H,3-10,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol has a molecular weight of 348.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[5-(2-piperidin-1-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol is sourced from PubChem (CID 46980483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).