2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate

C13H11Cl2N2O3S- — CID 9155837

IUPAC2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NCCOc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O3S/c14-8-1-2-10(15)11(5-8)20-4-3-16-13-17-9(7-21-13)6-12(18)19/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)/p-1
InChIKeyWXHQFSZDNIDJFE-UHFFFAOYSA-M
MW346.22 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate

2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 9155837) has the molecular formula C13H11Cl2N2O3S- and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID9155837
Molecular FormulaC13H11Cl2N2O3S-
Molecular Weight346.22 g/mol
Exact Mass344.99
IUPAC Name2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NCCOc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O3S/c14-8-1-2-10(15)11(5-8)20-4-3-16-13-17-9(7-21-13)6-12(18)19/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)/p-1
InChIKeyWXHQFSZDNIDJFE-UHFFFAOYSA-M
XLogP2.23
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2,4,6-trichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155901
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 9154786
2-[2-[2-(4-chloro-3-methylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155942
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155815
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 9154802
2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155947
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate (CID 9155837) is 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(NCCOc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WXHQFSZDNIDJFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12Cl2N2O3S/c14-8-1-2-10(15)11(5-8)20-4-3-16-13-17-9(7-21-13)6-12(18)19/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)/p-1.
What are the key properties of 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 346.22 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9155837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).