(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide

C19H17FN2O2S2 — CID 8941359

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1F
InChIInChI=1S/C19H17FN2O2S2/c1-12-22-16(11-25-12)18-7-5-14(26-18)10-21-19(23)8-4-13-3-6-17(24-2)15(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,23)/b8-4+
InChIKeyNWZAOFNSVHZOFC-XBXARRHUSA-N
MW388.49 g/mol
LogP4.66
Rot. Bonds6

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide (PubChem CID 8941359) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide
PubChem CID8941359
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1F
InChIInChI=1S/C19H17FN2O2S2/c1-12-22-16(11-25-12)18-7-5-14(26-18)10-21-19(23)8-4-13-3-6-17(24-2)15(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,23)/b8-4+
InChIKeyNWZAOFNSVHZOFC-XBXARRHUSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8940929
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
methyl 3-[5-[(E)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-3-oxoprop-1-enyl]furan-2-yl]propanoate
CID 8941601
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-2,2-dimethylpropanamide
CID 103597963
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8941390

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide (CID 8941359) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide?
The InChIKey is NWZAOFNSVHZOFC-XBXARRHUSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-12-22-16(11-25-12)18-7-5-14(26-18)10-21-19(23)8-4-13-3-6-17(24-2)15(20)9-13/h3-9,11H,10H2,1-2H3,(H,21,23)/b8-4+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide has a molecular weight of 388.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 8941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).