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

C15H18N2OS — CID 23847279

IUPAC4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCYURSTNYTDPCSR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.26
Rot. Bonds2

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

4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 23847279) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID23847279
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCYURSTNYTDPCSR-UHFFFAOYSA-N
XLogP3.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine (CID 23847279) is 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine is Cc1ccc(C)c(-c2csc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is CYURSTNYTDPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 274.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 23847279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).