4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine

C18H24N2O3S2 — CID 44591272

IUPAC4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O3S2/c1-13-5-6-14(17-19-16(12-24-17)18(2,3)4)11-15(13)25(21,22)20-7-9-23-10-8-20/h5-6,11-12H,7-10H2,1-4H3
InChIKeyRVRHTFXOZMGCTE-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.44
Rot. Bonds3

About 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine

4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine (PubChem CID 44591272) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
PubChem CID44591272
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O3S2/c1-13-5-6-14(17-19-16(12-24-17)18(2,3)4)11-15(13)25(21,22)20-7-9-23-10-8-20/h5-6,11-12H,7-10H2,1-4H3
InChIKeyRVRHTFXOZMGCTE-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine (CID 44591272) is 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine is Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine?
The InChIKey is RVRHTFXOZMGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-13-5-6-14(17-19-16(12-24-17)18(2,3)4)11-15(13)25(21,22)20-7-9-23-10-8-20/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine?
4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine has a molecular weight of 380.54 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylphenyl]sulfonylmorpholine is sourced from PubChem (CID 44591272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).