2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

C17H20N2O2S — CID 46066049

IUPAC2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C17H20N2O2S/c1-4-9-18-16(20)15-11-22-17(19-15)13-5-7-14(8-6-13)21-10-12(2)3/h4-8,11-12H,1,9-10H2,2-3H3,(H,18,20)
InChIKeyNCAPSSJQPJOHGM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.76
Rot. Bonds7

About 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (PubChem CID 46066049) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
PubChem CID46066049
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
SMILESC=CCNC(=O)c1csc(-c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C17H20N2O2S/c1-4-9-18-16(20)15-11-22-17(19-15)13-5-7-14(8-6-13)21-10-12(2)3/h4-8,11-12H,1,9-10H2,2-3H3,(H,18,20)
InChIKeyNCAPSSJQPJOHGM-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide 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

2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46065953
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 18092196
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165101
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide (CID 46066049) is 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is C=CCNC(=O)c1csc(-c2ccc(OCC(C)C)cc2)n1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
The InChIKey is NCAPSSJQPJOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-4-9-18-16(20)15-11-22-17(19-15)13-5-7-14(8-6-13)21-10-12(2)3/h4-8,11-12H,1,9-10H2,2-3H3,(H,18,20).
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide?
2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).