ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate

C14H10BrClN2O2S — CID 70567586

IUPACethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1nccs1
InChIInChI=1S/C14H10BrClN2O2S/c1-2-20-14(19)12-11(13-17-3-4-21-13)7-5-9(16)8(15)6-10(7)18-12/h3-6,18H,2H2,1H3
InChIKeyGKCYSYDDYIYKOS-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.88
Rot. Bonds3

About ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate

ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate (PubChem CID 70567586) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate
PubChem CID70567586
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Nameethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1nccs1
InChIInChI=1S/C14H10BrClN2O2S/c1-2-20-14(19)12-11(13-17-3-4-21-13)7-5-9(16)8(15)6-10(7)18-12/h3-6,18H,2H2,1H3
InChIKeyGKCYSYDDYIYKOS-UHFFFAOYSA-N
XLogP4.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
CID 12852038
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 3-(4-chlorophenyl)-5-ethoxy-1H-indole-2-carboxylate
CID 94830137
ethyl 7-bromo-4,6-dichloro-3-fluoroquinoline-2-carboxylate
CID 172700717
ethyl 4-bromo-6-chloro-1-benzothiophene-2-carboxylate
CID 169494860
ethyl 6-chloro-3-(cyanomethyl)-5-methyl-1H-indole-2-carboxylate
CID 70203807
ethyl 8-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823093
ethyl 5-bromo-4-chloro-2-hydroxybenzoate
CID 19701624
ethyl 3-amino-6-chloro-2-(1,3-thiazol-2-yl)indole-1-carboxylate
CID 18367747
ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
CID 1388374
ethyl 4-(2-bromoethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 13275563
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate (CID 70567586) is ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1nccs1.
What is the InChIKey of ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate?
The InChIKey is GKCYSYDDYIYKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-2-20-14(19)12-11(13-17-3-4-21-13)7-5-9(16)8(15)6-10(7)18-12/h3-6,18H,2H2,1H3.
What are the key properties of ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate?
ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate has a molecular weight of 385.67 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-5-chloro-3-(1,3-thiazol-2-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 70567586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).