[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate

C15H15BrN2O6S — CID 23763238

IUPAC[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(Br)s2)cc1OC
InChIInChI=1S/C15H15BrN2O6S/c1-21-9-5-11(23-3)10(22-2)4-8(9)14(20)24-7-13(19)18-15-17-6-12(16)25-15/h4-6H,7H2,1-3H3,(H,17,18,19)
InChIKeyQVLFXZPTMJNKPQ-UHFFFAOYSA-N
MW431.26 g/mol
LogP2.73
Rot. Bonds7

About [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate

[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate (PubChem CID 23763238) has the molecular formula C15H15BrN2O6S and a molecular weight of 431.26 g/mol. Its IUPAC name is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
PubChem CID23763238
Molecular FormulaC15H15BrN2O6S
Molecular Weight431.26 g/mol
Exact Mass429.98
IUPAC Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(Br)s2)cc1OC
InChIInChI=1S/C15H15BrN2O6S/c1-21-9-5-11(23-3)10(22-2)4-8(9)14(20)24-7-13(19)18-15-17-6-12(16)25-15/h4-6H,7H2,1-3H3,(H,17,18,19)
InChIKeyQVLFXZPTMJNKPQ-UHFFFAOYSA-N
XLogP2.73
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate
CID 23878041
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23794953
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
[2-(4-acetamidoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566522
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 23936870
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7395034
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2,4,5-trimethoxybenzoate
CID 9229901
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23770577
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate (CID 23763238) is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(Br)s2)cc1OC.
What is the InChIKey of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is QVLFXZPTMJNKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O6S/c1-21-9-5-11(23-3)10(22-2)4-8(9)14(20)24-7-13(19)18-15-17-6-12(16)25-15/h4-6H,7H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 431.26 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 23763238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).