5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

C18H12BrClN4O2S — CID 135711511

IUPAC5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N\c1ccncc1Cl
InChIInChI=1S/C18H12BrClN4O2S/c1-2-24-17(26)15(27-18(24)23-13-5-6-21-8-11(13)20)14-10-7-9(19)3-4-12(10)22-16(14)25/h3-8,26H,2H2,1H3/b23-18-
InChIKeyODBXLZQTROWHOM-NKFKGCMQSA-N
MW463.74 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135711511) has the molecular formula C18H12BrClN4O2S and a molecular weight of 463.74 g/mol. Its IUPAC name is 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID135711511
Molecular FormulaC18H12BrClN4O2S
Molecular Weight463.74 g/mol
Exact Mass461.96
IUPAC Name5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESCCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N\c1ccncc1Cl
InChIInChI=1S/C18H12BrClN4O2S/c1-2-24-17(26)15(27-18(24)23-13-5-6-21-8-11(13)20)14-10-7-9(19)3-4-12(10)22-16(14)25/h3-8,26H,2H2,1H3/b23-18-
InChIKeyODBXLZQTROWHOM-NKFKGCMQSA-N
XLogP2.68
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 135711511) is 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is CCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)s/c1=N\c1ccncc1Cl.
What is the InChIKey of 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is ODBXLZQTROWHOM-NKFKGCMQSA-N. The full InChI is InChI=1S/C18H12BrClN4O2S/c1-2-24-17(26)15(27-18(24)23-13-5-6-21-8-11(13)20)14-10-7-9(19)3-4-12(10)22-16(14)25/h3-8,26H,2H2,1H3/b23-18-.
What are the key properties of 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 463.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135711511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).