4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide

C21H19ClFN3O4S — CID 55895428

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H19ClFN3O4S/c1-11-17(9-12-5-3-4-6-15(12)23)31-21(25-11)26-20(28)13-7-14(22)19(16(8-13)29-2)30-10-18(24)27/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,25,26,28)
InChIKeySTZGSEBHBGYMGK-UHFFFAOYSA-N
MW463.92 g/mol
LogP3.96
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide (PubChem CID 55895428) has the molecular formula C21H19ClFN3O4S and a molecular weight of 463.92 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide
PubChem CID55895428
Molecular FormulaC21H19ClFN3O4S
Molecular Weight463.92 g/mol
Exact Mass463.08
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C21H19ClFN3O4S/c1-11-17(9-12-5-3-4-6-15(12)23)31-21(25-11)26-20(28)13-7-14(22)19(16(8-13)29-2)30-10-18(24)27/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,25,26,28)
InChIKeySTZGSEBHBGYMGK-UHFFFAOYSA-N
XLogP3.96
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590815
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 24592005
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590822
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 24648672
ethyl 3-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 52699326
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 60531752

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide (CID 55895428) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide is COc1cc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide?
The InChIKey is STZGSEBHBGYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S/c1-11-17(9-12-5-3-4-6-15(12)23)31-21(25-11)26-20(28)13-7-14(22)19(16(8-13)29-2)30-10-18(24)27/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,25,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide has a molecular weight of 463.92 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 55895428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).