[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C18H15ClN2O3S2 — CID 8505093

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-13-5-3-12(4-6-13)9-20-16(22)10-24-17(23)8-14-11-26-18(21-14)15-2-1-7-25-15/h1-7,11H,8-10H2,(H,20,22)
InChIKeyXGZWCMBMRYMMHZ-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.93
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8505093) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID8505093
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1csc(-c2cccs2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-13-5-3-12(4-6-13)9-20-16(22)10-24-17(23)8-14-11-26-18(21-14)15-2-1-7-25-15/h1-7,11H,8-10H2,(H,20,22)
InChIKeyXGZWCMBMRYMMHZ-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27775127
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826649
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24516052
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505297
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
(4-cyanophenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774879

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 8505093) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(COC(=O)Cc1csc(-c2cccs2)n1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is XGZWCMBMRYMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c19-13-5-3-12(4-6-13)9-20-16(22)10-24-17(23)8-14-11-26-18(21-14)15-2-1-7-25-15/h1-7,11H,8-10H2,(H,20,22).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 406.92 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8505093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).