2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide

C22H23ClN2O5S — CID 55654256

IUPAC2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C22H23ClN2O5S/c1-13-21(31-20(25-13)12-30-15-6-4-14(23)5-7-15)22(27)24-11-18(26)17-10-16(28-2)8-9-19(17)29-3/h4-10,18,26H,11-12H2,1-3H3,(H,24,27)
InChIKeyMTOGRSVDEANSOL-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.16
Rot. Bonds9

About 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55654256) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55654256
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C22H23ClN2O5S/c1-13-21(31-20(25-13)12-30-15-6-4-14(23)5-7-15)22(27)24-11-18(26)17-10-16(28-2)8-9-19(17)29-3/h4-10,18,26H,11-12H2,1-3H3,(H,24,27)
InChIKeyMTOGRSVDEANSOL-UHFFFAOYSA-N
XLogP4.16
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55445786
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
2-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methoxybutanoic acid
CID 120703125
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 52658941
2-[(4-chlorophenoxy)methyl]-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55722698
2-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46741158
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 46646474
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55654256) is 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MTOGRSVDEANSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-13-21(31-20(25-13)12-30-15-6-4-14(23)5-7-15)22(27)24-11-18(26)17-10-16(28-2)8-9-19(17)29-3/h4-10,18,26H,11-12H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 462.96 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55654256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).