(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide

C13H14N2O2S — CID 17408043

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-3-2-4-10(11)6-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+
InChIKeyJIMCQYATHHKDJB-VOTSOKGWSA-N
MW262.33 g/mol
LogP1.93
Rot. Bonds3

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 17408043) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID17408043
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1=NCCS1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-3-2-4-10(11)6-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+
InChIKeyJIMCQYATHHKDJB-VOTSOKGWSA-N
XLogP1.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.93
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

2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one
CID 135438809
2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
6-Trifluoromethyl-2-(4-methoxy-phenylmethyl)thio-4-pyrimidinol
CID 135815067
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2369402
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2424915
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 801165
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 924631
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
CID 2271808
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
2-(ethylsulfanyl)-5-(4-methoxybenzylidene)-3,5-dihydro-4H-imidazol-4-one
CID 135401348
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 2240299
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 924659

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide (CID 17408043) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NC1=NCCS1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is JIMCQYATHHKDJB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-5-3-2-4-10(11)6-7-12(16)15-13-14-8-9-18-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17408043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).