2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide

C18H22N2OS — CID 50965842

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1C)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C18H22N2OS/c1-5-10-20(12-16-9-7-6-8-13(16)2)18(21)11-17-14(3)22-15(4)19-17/h5-9H,1,10-12H2,2-4H3
InChIKeyRLBRIPDUTJMFFD-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.83
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 50965842) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
PubChem CID50965842
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1C)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C18H22N2OS/c1-5-10-20(12-16-9-7-6-8-13(16)2)18(21)11-17-14(3)22-15(4)19-17/h5-9H,1,10-12H2,2-4H3
InChIKeyRLBRIPDUTJMFFD-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(2-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360082
N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide
CID 50984697
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50970022
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 46983695
N-butyl-2,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 42793649
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylacetamide
CID 50948449
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
CID 102276029
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264506
3-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbutanamide
CID 42763891

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide (CID 50965842) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1C)C(=O)Cc1nc(C)sc1C.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is RLBRIPDUTJMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-5-10-20(12-16-9-7-6-8-13(16)2)18(21)11-17-14(3)22-15(4)19-17/h5-9H,1,10-12H2,2-4H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 50965842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).