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

C20H20N2O2S — CID 5059460

IUPACN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-14(2)15-6-8-16(9-7-15)18-13-25-20(21-18)22-19(23)11-10-17-5-4-12-24-17/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyXWTRIPITMGMFSB-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.57
Rot. Bonds6

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

N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 5059460) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID5059460
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-14(2)15-6-8-16(9-7-15)18-13-25-20(21-18)22-19(23)11-10-17-5-4-12-24-17/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyXWTRIPITMGMFSB-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
(E)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6369891
3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299086
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
3-(furan-2-yl)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 2921138
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
3-(furan-2-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4500888
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6185293
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-chlorobutanamide
CID 4129995
5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoate
CID 6974874
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
methyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623022

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide (CID 5059460) is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is CCC(C)c1ccc(-c2csc(NC(=O)C=Cc3ccco3)n2)cc1.
What is the InChIKey of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is XWTRIPITMGMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-14(2)15-6-8-16(9-7-15)18-13-25-20(21-18)22-19(23)11-10-17-5-4-12-24-17/h4-14H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide?
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 352.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 5059460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).