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

C18H29ClN4O2S — CID 171667711

IUPAC2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
SMILESCc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO.Cl
InChIInChI=1S/C18H28N4O2S.ClH/c1-14-16(25-17(20-14)21-7-9-24-10-8-21)15-11-19-13-22(15)6-4-5-18(2,3)12-23;/h11,13,23H,4-10,12H2,1-3H3;1H
InChIKeySEVUSQALWIEHPA-UHFFFAOYSA-N
MW400.98 g/mol
LogP3.37
Rot. Bonds7

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

2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride (PubChem CID 171667711) has the molecular formula C18H29ClN4O2S and a molecular weight of 400.98 g/mol. Its IUPAC name is 2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
PubChem CID171667711
Molecular FormulaC18H29ClN4O2S
Molecular Weight400.98 g/mol
Exact Mass400.17
IUPAC Name2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride
SMILESCc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO.Cl
InChIInChI=1S/C18H28N4O2S.ClH/c1-14-16(25-17(20-14)21-7-9-24-10-8-21)15-11-19-13-22(15)6-4-5-18(2,3)12-23;/h11,13,23H,4-10,12H2,1-3H3;1H
InChIKeySEVUSQALWIEHPA-UHFFFAOYSA-N
XLogP3.37
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 53.37
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-(4-methyl-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-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride (CID 171667711) is 2,2-dimethyl-5-[5-(4-methyl-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-(4-methyl-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-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride is Cc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO.Cl.
What is the InChIKey of 2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride?
The InChIKey is SEVUSQALWIEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S.ClH/c1-14-16(25-17(20-14)21-7-9-24-10-8-21)15-11-19-13-22(15)6-4-5-18(2,3)12-23;/h11,13,23H,4-10,12H2,1-3H3;1H.
What are the key properties of 2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride?
2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride has a molecular weight of 400.98 g/mol, XLogP of 3.37, 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-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol;hydrochloride is sourced from PubChem (CID 171667711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).