N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide

C12H14N2O2S — CID 801165

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H14N2O2S/c1-9-2-4-10(5-3-9)16-8-11(15)14-12-13-6-7-17-12/h2-5H,6-8H2,1H3,(H,13,14,15)
InChIKeyRVFMULXJLAFUCW-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.59
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 801165) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID801165
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H14N2O2S/c1-9-2-4-10(5-3-9)16-8-11(15)14-12-13-6-7-17-12/h2-5H,6-8H2,1H3,(H,13,14,15)
InChIKeyRVFMULXJLAFUCW-UHFFFAOYSA-N
XLogP1.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 1086015
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4127627
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
CID 801462
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 903129
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 924631
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 2423141
2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2340817
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 924659
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2654664
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
CID 2124930
3-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)propanamide
CID 2397841
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide (CID 801165) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is RVFMULXJLAFUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-2-4-10(5-3-9)16-8-11(15)14-12-13-6-7-17-12/h2-5H,6-8H2,1H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 801165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).