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

C14H18N2O2S — CID 1086015

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)18-9-13(17)16-14-15-7-8-19-14/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyQCORSLKKWMTCMZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.41
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 1086015) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID1086015
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)18-9-13(17)16-14-15-7-8-19-14/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyQCORSLKKWMTCMZ-UHFFFAOYSA-N
XLogP2.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 1086015) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QCORSLKKWMTCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(2)11-3-5-12(6-4-11)18-9-13(17)16-14-15-7-8-19-14/h3-6,10H,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.41, 4 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-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1086015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).