3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide

C9H12N2O2S — CID 69491375

IUPAC3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1nc(CO)cs1
InChIInChI=1S/C9H12N2O2S/c1-11(2)9(13)4-3-8-10-7(5-12)6-14-8/h3-4,6,12H,5H2,1-2H3
InChIKeyANZDKRFKWOPWLO-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.74
Rot. Bonds3

About 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide

3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide (PubChem CID 69491375) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide
PubChem CID69491375
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1nc(CO)cs1
InChIInChI=1S/C9H12N2O2S/c1-11(2)9(13)4-3-8-10-7(5-12)6-14-8/h3-4,6,12H,5H2,1-2H3
InChIKeyANZDKRFKWOPWLO-UHFFFAOYSA-N
XLogP0.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.74
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

4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-enoic acid
CID 170483082
S-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]prop-2-enyl] ethanethioate
CID 169456684
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 169483059
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
N-(2-hydroxypropyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 76940068
(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 131234715
3-(1,3-benzothiazol-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 103598762
methyl 3-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 54997523
(E)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 41438329
methyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
CID 121307713
(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55266811
(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
CID 166914330

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide (CID 69491375) is 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1nc(CO)cs1.
What is the InChIKey of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide?
The InChIKey is ANZDKRFKWOPWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11(2)9(13)4-3-8-10-7(5-12)6-14-8/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide?
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide has a molecular weight of 212.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 69491375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).