N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

C22H16N2O2S2 — CID 4286207

IUPACN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C22H16N2O2S2/c25-21(13-12-19-7-4-14-27-19)24-22-23-20(15-28-22)16-8-10-18(11-9-16)26-17-5-2-1-3-6-17/h1-15H,(H,23,24,25)
InChIKeyIQEPYTXUEXIEJS-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.32
Rot. Bonds6

About N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 4286207) has the molecular formula C22H16N2O2S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID4286207
Molecular FormulaC22H16N2O2S2
Molecular Weight404.52 g/mol
Exact Mass404.07
IUPAC NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C22H16N2O2S2/c25-21(13-12-19-7-4-14-27-19)24-22-23-20(15-28-22)16-8-10-18(11-9-16)26-17-5-2-1-3-6-17/h1-15H,(H,23,24,25)
InChIKeyIQEPYTXUEXIEJS-UHFFFAOYSA-N
XLogP6.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.32
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

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
3-(3-nitrophenyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5178070
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
(E)-3-(3,5-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 25208412
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
CID 3949957
(E)-3-(5-methylfuran-2-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2468061
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 4286207) is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IQEPYTXUEXIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S2/c25-21(13-12-19-7-4-14-27-19)24-22-23-20(15-28-22)16-8-10-18(11-9-16)26-17-5-2-1-3-6-17/h1-15H,(H,23,24,25).
What are the key properties of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 404.52 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4286207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).