2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol

C17H26N4O2S — CID 46980244

IUPAC2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C17H26N4O2S/c1-17(2,12-22)4-3-5-21-13-18-10-14(21)15-11-19-16(24-15)20-6-8-23-9-7-20/h10-11,13,22H,3-9,12H2,1-2H3
InChIKeyMULWFGXPTFCJCM-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.64
Rot. Bonds7

About 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol

2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol (PubChem CID 46980244) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
PubChem CID46980244
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C17H26N4O2S/c1-17(2,12-22)4-3-5-21-13-18-10-14(21)15-11-19-16(24-15)20-6-8-23-9-7-20/h10-11,13,22H,3-9,12H2,1-2H3
InChIKeyMULWFGXPTFCJCM-UHFFFAOYSA-N
XLogP2.64
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol (CID 46980244) is 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol is CC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1.
What is the InChIKey of 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
The InChIKey is MULWFGXPTFCJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-17(2,12-22)4-3-5-21-13-18-10-14(21)15-11-19-16(24-15)20-6-8-23-9-7-20/h10-11,13,22H,3-9,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol has a molecular weight of 350.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol is sourced from PubChem (CID 46980244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).