2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C13H15ClN2O2S — CID 4513717

IUPAC2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyRGEZKFTWHKMWAX-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 4513717) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID4513717
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyRGEZKFTWHKMWAX-UHFFFAOYSA-N
XLogP2.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 924627
2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4514036
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7442107
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
N-(4-amino-2-chloro-6-methoxyphenyl)-2-(2-chloro-4,6-dimethylphenoxy)acetamide
CID 100829792
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 4513717) is 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is Cc1cc(C)c(OCC(=O)NC2=NCCS2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is RGEZKFTWHKMWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 298.80 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4513717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).