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

C22H21N3O5S2 — CID 23912501

IUPAC4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESO=S(=O)(c1ccc(/N=c2/scc(-c3ccco3)n2Cc2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C22H21N3O5S2/c26-32(27,24-9-13-28-14-10-24)19-7-5-17(6-8-19)23-22-25(15-18-3-1-11-29-18)20(16-31-22)21-4-2-12-30-21/h1-8,11-12,16H,9-10,13-15H2/b23-22+
InChIKeySTKYBVFCUARDNB-GHVJWSGMSA-N
MW471.56 g/mol
LogP3.70
Rot. Bonds6

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

4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 23912501) has the molecular formula C22H21N3O5S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
PubChem CID23912501
Molecular FormulaC22H21N3O5S2
Molecular Weight471.56 g/mol
Exact Mass471.09
IUPAC Name4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
SMILESO=S(=O)(c1ccc(/N=c2/scc(-c3ccco3)n2Cc2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C22H21N3O5S2/c26-32(27,24-9-13-28-14-10-24)19-7-5-17(6-8-19)23-22-25(15-18-3-1-11-29-18)20(16-31-22)21-4-2-12-30-21/h1-8,11-12,16H,9-10,13-15H2/b23-22+
InChIKeySTKYBVFCUARDNB-GHVJWSGMSA-N
XLogP3.70
TPSA90.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812872
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3650518
4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(1-phenylethyl)-1,3-thiazol-2-imine
CID 23769973
3-ethyl-N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813136
2-[2-(4-methoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]ethanol
CID 3665554
4-methyl-3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 23800397
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
3-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 1017711
N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 17388964
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 23912501) is 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is O=S(=O)(c1ccc(/N=c2/scc(-c3ccco3)n2Cc2ccco2)cc1)N1CCOCC1.
What is the InChIKey of 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
The InChIKey is STKYBVFCUARDNB-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H21N3O5S2/c26-32(27,24-9-13-28-14-10-24)19-7-5-17(6-8-19)23-22-25(15-18-3-1-11-29-18)20(16-31-22)21-4-2-12-30-21/h1-8,11-12,16H,9-10,13-15H2/b23-22+.
What are the key properties of 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?
4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 471.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-(furan-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23912501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).