4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide

C13H12Cl2N2O2S — CID 175936087

IUPAC4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide
SMILESCNC(=O)c1cc(C)c(Oc2nc(Cl)c(Cl)s2)cc1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-6-5-9(7(2)4-8(6)12(18)16-3)19-13-17-10(14)11(15)20-13/h4-5H,1-3H3,(H,16,18)
InChIKeyISUNKANINCDPEL-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.22
Rot. Bonds3

About 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide

4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide (PubChem CID 175936087) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide.

Molecular Properties

Compound Name4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide
PubChem CID175936087
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide
SMILESCNC(=O)c1cc(C)c(Oc2nc(Cl)c(Cl)s2)cc1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-6-5-9(7(2)4-8(6)12(18)16-3)19-13-17-10(14)11(15)20-13/h4-5H,1-3H3,(H,16,18)
InChIKeyISUNKANINCDPEL-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826
N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
CID 59522615
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
2-chloro-N-methyl-1,3-benzothiazole-4-carboxamide
CID 119090275
3-amino-2-chloro-N,6-dimethylpyridine-4-carboxamide
CID 169154520
[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
CID 107672857
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
8-hydroxy-N,2,4,5-tetramethylquinoline-7-carboxamide;vanadium
CID 161092693
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide?
The IUPAC name of 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide (CID 175936087) is 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide.
What is the SMILES notation for 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide?
The canonical SMILES for 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide is CNC(=O)c1cc(C)c(Oc2nc(Cl)c(Cl)s2)cc1C.
What is the InChIKey of 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide?
The InChIKey is ISUNKANINCDPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-6-5-9(7(2)4-8(6)12(18)16-3)19-13-17-10(14)11(15)20-13/h4-5H,1-3H3,(H,16,18).
What are the key properties of 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide?
4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide has a molecular weight of 331.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-N,2,5-trimethylbenzamide is sourced from PubChem (CID 175936087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).