N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide

C14H13N3O2S — CID 134062092

IUPACN-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H13N3O2S/c1-15-13(19)11-5-2-10(3-6-11)4-7-12(18)17-14-16-8-9-20-14/h2-9H,1H3,(H,15,19)(H,16,17,18)/b7-4+
InChIKeyAXBIVVIEKZIWQS-QPJJXVBHSA-N
MW287.34 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide

N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide (PubChem CID 134062092) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
PubChem CID134062092
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H13N3O2S/c1-15-13(19)11-5-2-10(3-6-11)4-7-12(18)17-14-16-8-9-20-14/h2-9H,1H3,(H,15,19)(H,16,17,18)/b7-4+
InChIKeyAXBIVVIEKZIWQS-QPJJXVBHSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361550
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 6091158
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
4-[(E)-3-[4-(carbamoylamino)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557826
(E)-3-[3-(tetrazol-1-yl)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 16652466
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
3-[4-(dimethylamino)phenyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]prop-2-enamide
CID 71882865
N-methyl-4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanylanilino]-3-oxoprop-1-enyl]benzamide
CID 134003335
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
CID 46556732
4-[3-[(6-bromo-5-methyl-3-pyridinyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 91944206

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide?
The IUPAC name of N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide (CID 134062092) is N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide?
The canonical SMILES for N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide is CNC(=O)c1ccc(/C=C/C(=O)Nc2nccs2)cc1.
What is the InChIKey of N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide?
The InChIKey is AXBIVVIEKZIWQS-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-15-13(19)11-5-2-10(3-6-11)4-7-12(18)17-14-16-8-9-20-14/h2-9H,1H3,(H,15,19)(H,16,17,18)/b7-4+.
What are the key properties of N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide?
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 134062092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).