(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

C20H20N2O2S — CID 6058474

IUPAC(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)16-7-5-15(6-8-16)12-18-13-21-20(25-18)22-19(23)10-9-17-4-3-11-24-17/h3-11,13-14H,12H2,1-2H3,(H,21,22,23)/b10-9+
InChIKeyNYNGZEUGOFAKNE-MDZDMXLPSA-N
MW352.46 g/mol
LogP5.10
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 6058474) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID6058474
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14(2)16-7-5-15(6-8-16)12-18-13-21-20(25-18)22-19(23)10-9-17-4-3-11-24-17/h3-11,13-14H,12H2,1-2H3,(H,21,22,23)/b10-9+
InChIKeyNYNGZEUGOFAKNE-MDZDMXLPSA-N
XLogP5.10
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 ≤ 55.10
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

(E)-3-(furan-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 726250
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 726241
(E)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 18827705
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5122314
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3326554
3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 903368
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 2177042
2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836350
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CID 6058474) is (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is CC(C)c1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is NYNGZEUGOFAKNE-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(2)16-7-5-15(6-8-16)12-18-13-21-20(25-18)22-19(23)10-9-17-4-3-11-24-17/h3-11,13-14H,12H2,1-2H3,(H,21,22,23)/b10-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 352.46 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 6058474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).