2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine

C13H18N4OS — CID 110104978

IUPAC2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1cnc(C2CN(Cc3scnc3C)CCO2)[nH]1
InChIInChI=1S/C13H18N4OS/c1-9-5-14-13(16-9)11-6-17(3-4-18-11)7-12-10(2)15-8-19-12/h5,8,11H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyDPNNZRYRRAHTGZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.06
Rot. Bonds3

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

2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 110104978) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID110104978
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1cnc(C2CN(Cc3scnc3C)CCO2)[nH]1
InChIInChI=1S/C13H18N4OS/c1-9-5-14-13(16-9)11-6-17(3-4-18-11)7-12-10(2)15-8-19-12/h5,8,11H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyDPNNZRYRRAHTGZ-UHFFFAOYSA-N
XLogP2.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 110104978) is 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1cnc(C2CN(Cc3scnc3C)CCO2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is DPNNZRYRRAHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-5-14-13(16-9)11-6-17(3-4-18-11)7-12-10(2)15-8-19-12/h5,8,11H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine?
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 278.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 110104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).