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

C18H28N4O2S — CID 46980361

IUPAC2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO
InChIInChI=1S/C18H28N4O2S/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
InChIKeyPJUGTQFMIDQZNZ-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.95
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

2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol (PubChem CID 46980361) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 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.

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
PubChem CID46980361
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol
SMILESCc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO
InChIInChI=1S/C18H28N4O2S/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
InChIKeyPJUGTQFMIDQZNZ-UHFFFAOYSA-N
XLogP2.95
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.95
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?
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 (CID 46980361) is 2,2-dimethyl-5-[5-(4-methyl-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-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol?
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 is Cc1nc(N2CCOCC2)sc1-c1cncn1CCCC(C)(C)CO.
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?
The InChIKey is PJUGTQFMIDQZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/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.
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?
2,2-dimethyl-5-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)imidazol-1-yl]pentan-1-ol has a molecular weight of 364.52 g/mol, XLogP of 2.95, 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 is sourced from PubChem (CID 46980361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).