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

C17H15N3OS2 — CID 167957063

IUPAC(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCc1ccc(-c2csc(NC(=O)/C=C/c3cncs3)n2)cc1
InChIInChI=1S/C17H15N3OS2/c1-2-12-3-5-13(6-4-12)15-10-22-17(19-15)20-16(21)8-7-14-9-18-11-23-14/h3-11H,2H2,1H3,(H,19,20,21)/b8-7+
InChIKeyPWTSEYCWBYMZPQ-BQYQJAHWSA-N
MW341.46 g/mol
LogP4.48
Rot. Bonds5

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

(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 167957063) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID167957063
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCCc1ccc(-c2csc(NC(=O)/C=C/c3cncs3)n2)cc1
InChIInChI=1S/C17H15N3OS2/c1-2-12-3-5-13(6-4-12)15-10-22-17(19-15)20-16(21)8-7-14-9-18-11-23-14/h3-11H,2H2,1H3,(H,19,20,21)/b8-7+
InChIKeyPWTSEYCWBYMZPQ-BQYQJAHWSA-N
XLogP4.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.48
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-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
3-(4-chlorophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5139466
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 5045693
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
3-(5-bromofuran-2-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3895639
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232176
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 167957063) is (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide is CCc1ccc(-c2csc(NC(=O)/C=C/c3cncs3)n2)cc1.
What is the InChIKey of (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is PWTSEYCWBYMZPQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-2-12-3-5-13(6-4-12)15-10-22-17(19-15)20-16(21)8-7-14-9-18-11-23-14/h3-11H,2H2,1H3,(H,19,20,21)/b8-7+.
What are the key properties of (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 167957063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).