ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C12H11BrN2O3S2 — CID 1247392

IUPACethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrN2O3S2/c1-2-18-10(16)5-7-6-19-12(14-7)15-11(17)8-3-4-9(13)20-8/h3-4,6H,2,5H2,1H3,(H,14,15,17)
InChIKeyFIRFIXUHZNMKTH-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1247392) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID1247392
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC Nameethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C12H11BrN2O3S2/c1-2-18-10(16)5-7-6-19-12(14-7)15-11(17)8-3-4-9(13)20-8/h3-4,6H,2,5H2,1H3,(H,14,15,17)
InChIKeyFIRFIXUHZNMKTH-UHFFFAOYSA-N
XLogP3.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
Ethyl 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 741416
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2442289
Ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 787333
Methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2809560
Ethyl 4-methyl-2-[(2-thienylcarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 696042
Ethyl 2-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]acetate
CID 702932
[2-(4-Bromo-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 985462
Ethyl (2-{[(5-methyl-3-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1246639
Ethyl (2-{[(4,5-dimethylthiophen-2-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 19585413
Ethyl 2-(2-(3-(2-bromobenzoyl)thioureido)thiazol-4-yl)acetate
CID 1235011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 1247392) is ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1.
What is the InChIKey of ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FIRFIXUHZNMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c1-2-18-10(16)5-7-6-19-12(14-7)15-11(17)8-3-4-9(13)20-8/h3-4,6H,2,5H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 375.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1247392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).