N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C18H14ClN3O3S — CID 33266017

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-12-6-4-11(5-7-12)18-22-15(10-26-18)17(24)21-13-2-1-3-14(8-13)25-9-16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,24)
InChIKeyLQWIPUYNPVDNQA-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.58
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 33266017) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID33266017
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-12-6-4-11(5-7-12)18-22-15(10-26-18)17(24)21-13-2-1-3-14(8-13)25-9-16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,24)
InChIKeyLQWIPUYNPVDNQA-UHFFFAOYSA-N
XLogP3.58
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 86863260
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 83287859
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
CID 60584119
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 33266017) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LQWIPUYNPVDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-12-6-4-11(5-7-12)18-22-15(10-26-18)17(24)21-13-2-1-3-14(8-13)25-9-16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,24).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 33266017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).