(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C21H19FN2O4S — CID 8511573

IUPAC(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3cccc(OC)c3OC)n2)cc1F
InChIInChI=1S/C21H19FN2O4S/c1-26-17-9-7-14(11-15(17)22)16-12-29-21(23-16)24-19(25)10-8-13-5-4-6-18(27-2)20(13)28-3/h4-12H,1-3H3,(H,23,24,25)/b10-8+
InChIKeyGANVWNCOGMCEDH-CSKARUKUSA-N
MW414.46 g/mol
LogP4.63
Rot. Bonds7

About (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 8511573) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID8511573
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3cccc(OC)c3OC)n2)cc1F
InChIInChI=1S/C21H19FN2O4S/c1-26-17-9-7-14(11-15(17)22)16-12-29-21(23-16)24-19(25)10-8-13-5-4-6-18(27-2)20(13)28-3/h4-12H,1-3H3,(H,23,24,25)/b10-8+
InChIKeyGANVWNCOGMCEDH-CSKARUKUSA-N
XLogP4.63
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4682996
(E)-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55437889
(E)-3-[4-(3-fluorophenyl)-2-methoxyphenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722717
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 17341095
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
3-(3,5-dichloro-2-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5218469
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 8511573) is (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is COc1ccc(-c2csc(NC(=O)/C=C/c3cccc(OC)c3OC)n2)cc1F.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is GANVWNCOGMCEDH-CSKARUKUSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-26-17-9-7-14(11-15(17)22)16-12-29-21(23-16)24-19(25)10-8-13-5-4-6-18(27-2)20(13)28-3/h4-12H,1-3H3,(H,23,24,25)/b10-8+.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 414.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 8511573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).