(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C23H18N2O2S — CID 2468061

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1
InChIInChI=1S/C23H18N2O2S/c1-16-7-12-20(27-16)13-14-22(26)25-23-24-21(15-28-23)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,25,26)/b14-13+
InChIKeyYCXPAROCNGWYMB-BUHFOSPRSA-N
MW386.48 g/mol
LogP6.03
Rot. Bonds5

About (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 2468061) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID2468061
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1
InChIInChI=1S/C23H18N2O2S/c1-16-7-12-20(27-16)13-14-22(26)25-23-24-21(15-28-23)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,25,26)/b14-13+
InChIKeyYCXPAROCNGWYMB-BUHFOSPRSA-N
XLogP6.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 56.03
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-methylfuran-2-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 134041791
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3895639
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
CID 3949957
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 3627774
(E)-3-(3,5-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 25208412
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3510241
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
3-(2-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5050313
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 2468061) is (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is YCXPAROCNGWYMB-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-16-7-12-20(27-16)13-14-22(26)25-23-24-21(15-28-23)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,25,26)/b14-13+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 386.48 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 2468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).