4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine

C14H18N2OS — CID 4102420

IUPAC4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine
SMILESc1ccc(CC2CN=C(N3CCOCC3)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-4-12(5-3-1)10-13-11-15-14(18-13)16-6-8-17-9-7-16/h1-5,13H,6-11H2
InChIKeyMDZUIGOPNJPKSM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.03
Rot. Bonds2

About 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine

4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine (PubChem CID 4102420) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine
PubChem CID4102420
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine
SMILESc1ccc(CC2CN=C(N3CCOCC3)S2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-4-12(5-3-1)10-13-11-15-14(18-13)16-6-8-17-9-7-16/h1-5,13H,6-11H2
InChIKeyMDZUIGOPNJPKSM-UHFFFAOYSA-N
XLogP2.03
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine (CID 4102420) is 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine is c1ccc(CC2CN=C(N3CCOCC3)S2)cc1.
What is the InChIKey of 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine?
The InChIKey is MDZUIGOPNJPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-4-12(5-3-1)10-13-11-15-14(18-13)16-6-8-17-9-7-16/h1-5,13H,6-11H2.
What are the key properties of 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine?
4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine has a molecular weight of 262.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 4102420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).