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

C17H27ClN4O2S — CID 171672366

IUPAC2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1.Cl
InChIInChI=1S/C17H26N4O2S.ClH/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;1H
InChIKeyUBUHCLKAKFJCNU-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.06
Rot. Bonds7

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

2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride (PubChem CID 171672366) has the molecular formula C17H27ClN4O2S and a molecular weight of 386.95 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;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
PubChem CID171672366
Molecular FormulaC17H27ClN4O2S
Molecular Weight386.95 g/mol
Exact Mass386.15
IUPAC Name2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
SMILESCC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1.Cl
InChIInChI=1S/C17H26N4O2S.ClH/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;1H
InChIKeyUBUHCLKAKFJCNU-UHFFFAOYSA-N
XLogP3.06
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.06
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;hydrochloride?
The IUPAC name of 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride (CID 171672366) is 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride is CC(C)(CO)CCCn1cncc1-c1cnc(N2CCOCC2)s1.Cl.
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;hydrochloride?
The InChIKey is UBUHCLKAKFJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S.ClH/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;1H.
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;hydrochloride?
2,2-dimethyl-5-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 3.06, 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;hydrochloride is sourced from PubChem (CID 171672366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).