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

C14H12ClN2O3S- — CID 9148071

IUPAC2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c15-10-3-1-2-9(4-10)7-16-12(18)6-13-17-11(8-21-13)5-14(19)20/h1-4,8H,5-7H2,(H,16,18)(H,19,20)/p-1
InChIKeyZNFQCLUXFRSLPN-UHFFFAOYSA-M
MW323.78 g/mol
LogP0.95
Rot. Bonds6

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

2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9148071) has the molecular formula C14H12ClN2O3S- and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9148071
Molecular FormulaC14H12ClN2O3S-
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC Name2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c15-10-3-1-2-9(4-10)7-16-12(18)6-13-17-11(8-21-13)5-14(19)20/h1-4,8H,5-7H2,(H,16,18)(H,19,20)/p-1
InChIKeyZNFQCLUXFRSLPN-UHFFFAOYSA-M
XLogP0.95
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148055
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148100
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55762873
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[2-(3-chlorophenyl)ethyl]-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342111
N-[2-(3-chlorophenyl)ethyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386888

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9148071) is 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(CC(=O)NCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZNFQCLUXFRSLPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13ClN2O3S/c15-10-3-1-2-9(4-10)7-16-12(18)6-13-17-11(8-21-13)5-14(19)20/h1-4,8H,5-7H2,(H,16,18)(H,19,20)/p-1.
What are the key properties of 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 323.78 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9148071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).