4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine

C25H25N3O4S2 — CID 23769973

IUPAC4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
SMILESCC(c1ccccc1)n1c(-c2ccco2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H25N3O4S2/c1-19(20-6-3-2-4-7-20)28-23(24-8-5-15-32-24)18-33-25(28)26-21-9-11-22(12-10-21)34(29,30)27-13-16-31-17-14-27/h2-12,15,18-19H,13-14,16-17H2,1H3/b26-25-
InChIKeyVKUWUARTJJIVAA-QPLCGJKRSA-N
MW495.63 g/mol
LogP4.67
Rot. Bonds6

About 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine

4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 23769973) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
PubChem CID23769973
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
SMILESCC(c1ccccc1)n1c(-c2ccco2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H25N3O4S2/c1-19(20-6-3-2-4-7-20)28-23(24-8-5-15-32-24)18-33-25(28)26-21-9-11-22(12-10-21)34(29,30)27-13-16-31-17-14-27/h2-12,15,18-19H,13-14,16-17H2,1H3/b26-25-
InChIKeyVKUWUARTJJIVAA-QPLCGJKRSA-N
XLogP4.67
TPSA77.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-butyl-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23961566
4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23912501
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
CID 23961498
4-(1-benzofuran-2-yl)-3-(1-methoxypropan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4003578
3-butan-2-yl-4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23935571
4-(4-fluorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-pentan-3-yl-1,3-thiazol-2-imine
CID 23826839
N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23881931
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
N,3-bis(4-methoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812771
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812872
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23851500

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine (CID 23769973) is 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine is CC(c1ccccc1)n1c(-c2ccco2)cs/c1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is VKUWUARTJJIVAA-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-19(20-6-3-2-4-7-20)28-23(24-8-5-15-32-24)18-33-25(28)26-21-9-11-22(12-10-21)34(29,30)27-13-16-31-17-14-27/h2-12,15,18-19H,13-14,16-17H2,1H3/b26-25-.
What are the key properties of 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine?
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 495.63 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23769973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).