N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C14H14N2O3S — CID 43405521

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C14H14N2O3S/c1-4-13(17)16-14-15-10(8-20-14)9-5-6-11(18-2)12(7-9)19-3/h4-8H,1H2,2-3H3,(H,15,16,17)
InChIKeyMUJFEVODXVDUCJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.95
Rot. Bonds5

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

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 43405521) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID43405521
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C14H14N2O3S/c1-4-13(17)16-14-15-10(8-20-14)9-5-6-11(18-2)12(7-9)19-3/h4-8H,1H2,2-3H3,(H,15,16,17)
InChIKeyMUJFEVODXVDUCJ-UHFFFAOYSA-N
XLogP2.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.95
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-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
CID 142697324
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methylbenzamide
CID 5229385
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 43405521) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is MUJFEVODXVDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-4-13(17)16-14-15-10(8-20-14)9-5-6-11(18-2)12(7-9)19-3/h4-8H,1H2,2-3H3,(H,15,16,17).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 290.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 43405521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).