N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C14H18N2O2S — CID 82723067

IUPACN-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCC(C)CONC(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C14H18N2O2S/c1-10(2)8-18-16-13(17)12-9-19-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyAZHUUQWHBNXBNH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.25
Rot. Bonds5

About N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 82723067) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID82723067
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCC(C)CONC(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C14H18N2O2S/c1-10(2)8-18-16-13(17)12-9-19-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)
InChIKeyAZHUUQWHBNXBNH-UHFFFAOYSA-N
XLogP2.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43353957
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
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
N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 106102825
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 107482480
(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
[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 60956763
N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090
benzyl (4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carboxylate
CID 11002726

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 82723067) is N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is CC(C)CONC(=O)C1CSC(c2ccccc2)=N1.
What is the InChIKey of N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is AZHUUQWHBNXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)8-18-16-13(17)12-9-19-14(15-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).