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

C13H18N4OS — CID 1481542

IUPAC4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(C)n(Cc2cnc(N3CCOCC3)s2)n1
InChIInChI=1S/C13H18N4OS/c1-10-7-11(2)17(15-10)9-12-8-14-13(19-12)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3
InChIKeyDGKKXHRZIVGFQH-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.84
Rot. Bonds3

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

4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 1481542) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID1481542
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(C)n(Cc2cnc(N3CCOCC3)s2)n1
InChIInChI=1S/C13H18N4OS/c1-10-7-11(2)17(15-10)9-12-8-14-13(19-12)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3
InChIKeyDGKKXHRZIVGFQH-UHFFFAOYSA-N
XLogP1.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 1481542) is 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is Cc1cc(C)n(Cc2cnc(N3CCOCC3)s2)n1.
What is the InChIKey of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is DGKKXHRZIVGFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-7-11(2)17(15-10)9-12-8-14-13(19-12)16-3-5-18-6-4-16/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 278.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 1481542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).