(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide

C7H8N2O2S — CID 131247757

IUPAC(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCONC(=O)/C=C/c1cscn1
InChIInChI=1S/C7H8N2O2S/c1-11-9-7(10)3-2-6-4-12-5-8-6/h2-5H,1H3,(H,9,10)/b3-2+
InChIKeyVZVWBHGDYZWMAY-NSCUHMNNSA-N
MW184.22 g/mol
LogP0.83
Rot. Bonds3

About (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide

(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 131247757) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID131247757
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCONC(=O)/C=C/c1cscn1
InChIInChI=1S/C7H8N2O2S/c1-11-9-7(10)3-2-6-4-12-5-8-6/h2-5H,1H3,(H,9,10)/b3-2+
InChIKeyVZVWBHGDYZWMAY-NSCUHMNNSA-N
XLogP0.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) (E)-3-(1,3-thiazol-4-yl)prop-2-enoate
CID 75418745
methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate
CID 174410382
(2Z,4E)-3-methyl-5-(1,3-thiazol-4-yl)penta-2,4-dienoic acid
CID 164646142
(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 52834550
(Z)-N-(4-pyrimidin-2-yloxyphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97462495
(Z)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 97359898
(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49319838
N-(3-ethynylphenyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 71881380
(E)-N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95336788
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902
(E)-N-(2-methoxyethoxy)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79673967
3-(1,3-thiazol-4-yl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]prop-2-enamide
CID 71881303

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 131247757) is (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide is CONC(=O)/C=C/c1cscn1.
What is the InChIKey of (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is VZVWBHGDYZWMAY-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-11-9-7(10)3-2-6-4-12-5-8-6/h2-5H,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 184.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 131247757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).