2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide

C21H19ClN2O2S — CID 55538028

IUPAC2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(COc2ccc(Cl)cc2)n1)C1CCc2ccccc21
InChIInChI=1S/C21H19ClN2O2S/c1-24(19-11-6-14-4-2-3-5-17(14)19)21(25)18-13-27-20(23-18)12-26-16-9-7-15(22)8-10-16/h2-5,7-10,13,19H,6,11-12H2,1H3
InChIKeyCFTJXHJEIYIUBI-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.14
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55538028) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID55538028
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(COc2ccc(Cl)cc2)n1)C1CCc2ccccc21
InChIInChI=1S/C21H19ClN2O2S/c1-24(19-11-6-14-4-2-3-5-17(14)19)21(25)18-13-27-20(23-18)12-26-16-9-7-15(22)8-10-16/h2-5,7-10,13,19H,6,11-12H2,1H3
InChIKeyCFTJXHJEIYIUBI-UHFFFAOYSA-N
XLogP5.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46536356
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55583728
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46649402
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 45208937
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide (CID 55538028) is 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(COc2ccc(Cl)cc2)n1)C1CCc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CFTJXHJEIYIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-24(19-11-6-14-4-2-3-5-17(14)19)21(25)18-13-27-20(23-18)12-26-16-9-7-15(22)8-10-16/h2-5,7-10,13,19H,6,11-12H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55538028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).