3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C19H17BrN2O2S — CID 3895639

IUPAC3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCCCc1ccc(-c2csc(NC(=O)C=Cc3ccc(Br)o3)n2)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-2-3-13-4-6-14(7-5-13)16-12-25-19(21-16)22-18(23)11-9-15-8-10-17(20)24-15/h4-12H,2-3H2,1H3,(H,21,22,23)
InChIKeyJYDSHSKJAWWHEE-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.77
Rot. Bonds6

About 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 3895639) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID3895639
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC Name3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCCCc1ccc(-c2csc(NC(=O)C=Cc3ccc(Br)o3)n2)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-2-3-13-4-6-14(7-5-13)16-12-25-19(21-16)22-18(23)11-9-15-8-10-17(20)24-15/h4-12H,2-3H2,1H3,(H,21,22,23)
InChIKeyJYDSHSKJAWWHEE-UHFFFAOYSA-N
XLogP5.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.77
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-(5-bromofuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 40650766
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2468061
ethyl 2-[2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 2309599
2-[2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242170
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 3627774
(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 167957063
3-(4-chlorophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5139466
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enamide
CID 5134174
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 5045693

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 3895639) is 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is CCCc1ccc(-c2csc(NC(=O)C=Cc3ccc(Br)o3)n2)cc1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is JYDSHSKJAWWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-2-3-13-4-6-14(7-5-13)16-12-25-19(21-16)22-18(23)11-9-15-8-10-17(20)24-15/h4-12H,2-3H2,1H3,(H,21,22,23).
What are the key properties of 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 417.33 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 3895639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).