4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine

C20H24N4OS — CID 50981098

IUPAC4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine
SMILESCCC(Cn1cnc(-c2ccccc2)c1-c1nccs1)N1CCOCC1
InChIInChI=1S/C20H24N4OS/c1-2-17(23-9-11-25-12-10-23)14-24-15-22-18(16-6-4-3-5-7-16)19(24)20-21-8-13-26-20/h3-8,13,15,17H,2,9-12,14H2,1H3
InChIKeyMCOXNTZZSBPWNW-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.78
Rot. Bonds6

About 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine

4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine (PubChem CID 50981098) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine
PubChem CID50981098
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine
SMILESCCC(Cn1cnc(-c2ccccc2)c1-c1nccs1)N1CCOCC1
InChIInChI=1S/C20H24N4OS/c1-2-17(23-9-11-25-12-10-23)14-24-15-22-18(16-6-4-3-5-7-16)19(24)20-21-8-13-26-20/h3-8,13,15,17H,2,9-12,14H2,1H3
InChIKeyMCOXNTZZSBPWNW-UHFFFAOYSA-N
XLogP3.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine (CID 50981098) is 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine is CCC(Cn1cnc(-c2ccccc2)c1-c1nccs1)N1CCOCC1.
What is the InChIKey of 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine?
The InChIKey is MCOXNTZZSBPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-17(23-9-11-25-12-10-23)14-24-15-22-18(16-6-4-3-5-7-16)19(24)20-21-8-13-26-20/h3-8,13,15,17H,2,9-12,14H2,1H3.
What are the key properties of 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine?
4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine has a molecular weight of 368.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-phenyl-5-(1,3-thiazol-2-yl)imidazol-1-yl]butan-2-yl]morpholine is sourced from PubChem (CID 50981098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).