3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C20H19N3O5S2 — CID 4500888

IUPAC3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C20H19N3O5S2/c24-19(8-5-16-2-1-11-28-16)22-20-21-18(14-29-20)15-3-6-17(7-4-15)30(25,26)23-9-12-27-13-10-23/h1-8,11,14H,9-10,12-13H2,(H,21,22,24)
InChIKeyQEEXSXPDRGRSAS-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.08
Rot. Bonds6

About 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 4500888) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID4500888
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC Name3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C20H19N3O5S2/c24-19(8-5-16-2-1-11-28-16)22-20-21-18(14-29-20)15-3-6-17(7-4-15)30(25,26)23-9-12-27-13-10-23/h1-8,11,14H,9-10,12-13H2,(H,21,22,24)
InChIKeyQEEXSXPDRGRSAS-UHFFFAOYSA-N
XLogP3.08
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276687
3-(2,4-dichlorophenyl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4500497
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 16547893
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 51072840
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5059460
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5083210
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55722672
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 4500888) is 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is QEEXSXPDRGRSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c24-19(8-5-16-2-1-11-28-16)22-20-21-18(14-29-20)15-3-6-17(7-4-15)30(25,26)23-9-12-27-13-10-23/h1-8,11,14H,9-10,12-13H2,(H,21,22,24).
What are the key properties of 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 445.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 4500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).