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

C8H10N2O2S — CID 131235420

IUPAC(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide
SMILESCOC/C=C/C(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-12-5-2-3-7(11)10-8-9-4-6-13-8/h2-4,6H,5H2,1H3,(H,9,10,11)/b3-2+
InChIKeyPRDKERNBIYOUSZ-NSCUHMNNSA-N
MW198.25 g/mol
LogP1.28
Rot. Bonds4

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

(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide (PubChem CID 131235420) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide
PubChem CID131235420
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide
SMILESCOC/C=C/C(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S/c1-12-5-2-3-7(11)10-8-9-4-6-13-8/h2-4,6H,5H2,1H3,(H,9,10,11)/b3-2+
InChIKeyPRDKERNBIYOUSZ-NSCUHMNNSA-N
XLogP1.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 3119914
ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 2106440
(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 131274999
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
CID 134062092
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875

Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide?
The IUPAC name of (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide (CID 131235420) is (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide.
What is the SMILES notation for (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide?
The canonical SMILES for (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide is COC/C=C/C(=O)Nc1nccs1.
What is the InChIKey of (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide?
The InChIKey is PRDKERNBIYOUSZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-5-2-3-7(11)10-8-9-4-6-13-8/h2-4,6H,5H2,1H3,(H,9,10,11)/b3-2+.
What are the key properties of (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide?
(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide has a molecular weight of 198.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide is sourced from PubChem (CID 131235420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).