2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

C16H14N4O3S2 — CID 47495609

IUPAC2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#CC(=Cc1csc(C2CC2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N4O3S2/c17-8-11(7-13-9-24-16(20-13)10-1-2-10)15(21)19-12-3-5-14(6-4-12)25(18,22)23/h3-7,9-10H,1-2H2,(H,19,21)(H2,18,22,23)
InChIKeyVAYWODNYWFZDNL-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.21
Rot. Bonds5

About 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide

2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 47495609) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID47495609
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#CC(=Cc1csc(C2CC2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N4O3S2/c17-8-11(7-13-9-24-16(20-13)10-1-2-10)15(21)19-12-3-5-14(6-4-12)25(18,22)23/h3-7,9-10H,1-2H2,(H,19,21)(H2,18,22,23)
InChIKeyVAYWODNYWFZDNL-UHFFFAOYSA-N
XLogP2.21
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide
CID 47495529
2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 75268695
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylidene]-5,5-dimethyl-3-oxohexanenitrile
CID 47497260
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841821
2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 3137858
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070910
2-cyano-3-(4-fluoro-3-methylphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72686777
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-sulfamoylphenyl)prop-2-enamide
CID 74671446
[4-[2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 4-methoxybenzoate
CID 3137911
(E)-2-cyano-3-(4-methoxy-3-methylphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24582767
ethyl 1-[(Z)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]piperidine-3-carboxylate
CID 108841883

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 47495609) is 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is N#CC(=Cc1csc(C2CC2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is VAYWODNYWFZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c17-8-11(7-13-9-24-16(20-13)10-1-2-10)15(21)19-12-3-5-14(6-4-12)25(18,22)23/h3-7,9-10H,1-2H2,(H,19,21)(H2,18,22,23).
What are the key properties of 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide?
2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 374.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 47495609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).