N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C11H12N2O2S — CID 64974725

IUPACN-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCONC(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C11H12N2O2S/c1-15-13-10(14)9-7-16-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyDDOOBLBXKUPJQK-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.23
Rot. Bonds3

About N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 64974725) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID64974725
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCONC(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C11H12N2O2S/c1-15-13-10(14)9-7-16-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyDDOOBLBXKUPJQK-UHFFFAOYSA-N
XLogP1.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-2-phenyl-4,5-dihydro-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

methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 82723067
3-methyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43353957
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 63295180
2-cyclopropyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 62695531
methyl (4S)-2-[4-(4-aminophenyl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 102226256
(4R)-N-[4-(hydroxymethyl)thian-4-yl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 126824514
(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259748
methyl (E)-2-methyl-3-[(4S)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]prop-2-enoate
CID 101242566
N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 106102825
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 102784796
(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 62916930

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 64974725) is N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is CONC(=O)C1CSC(c2ccccc2)=N1.
What is the InChIKey of N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is DDOOBLBXKUPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-13-10(14)9-7-16-11(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14).
What are the key properties of N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 64974725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).