2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole

C23H18Br3N5S2 — CID 157477200

IUPAC2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole
SMILESBrc1ccc2c(c1)CN=C2.Cc1csc(-n2ncc3ccc(Br)cc32)n1.Cc1csc(Br)n1
InChIInChI=1S/C11H8BrN3S.C8H6BrN.C4H4BrNS/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15;9-8-2-1-6-4-10-5-7(6)3-8;1-3-2-7-4(5)6-3/h2-6H,1H3;1-4H,5H2;2H,1H3
InChIKeyBVSSLHDOKDJLRX-UHFFFAOYSA-N
MW668.28 g/mol
LogP8.15
Rot. Bonds1

About 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole

2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole (PubChem CID 157477200) has the molecular formula C23H18Br3N5S2 and a molecular weight of 668.28 g/mol. Its IUPAC name is 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole
PubChem CID157477200
Molecular FormulaC23H18Br3N5S2
Molecular Weight668.28 g/mol
Exact Mass664.86
IUPAC Name2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole
SMILESBrc1ccc2c(c1)CN=C2.Cc1csc(-n2ncc3ccc(Br)cc32)n1.Cc1csc(Br)n1
InChIInChI=1S/C11H8BrN3S.C8H6BrN.C4H4BrNS/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15;9-8-2-1-6-4-10-5-7(6)3-8;1-3-2-7-4(5)6-3/h2-6H,1H3;1-4H,5H2;2H,1H3
InChIKeyBVSSLHDOKDJLRX-UHFFFAOYSA-N
XLogP8.15
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.28
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole
CID 137228485
4-(4-bromophenyl)-2-[5-(4-fluorophenyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 3413478
6-Bromo-1-(4-methyl-2-thiazolyl)-1h-indazole
CID 118663579
6-Bromo-1-(5-methyl-2-thiazolyl)-1h-indazole
CID 118663621
2-(6-Bromo-1-methylindazol-4-yl)-4-(2-ethyl-5-methylpyrazol-3-yl)-1,3-thiazole
CID 156173071
2-(6-Bromoindazol-1-yl)-4-methyl-1,3-thiazole;4-methyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-1,3-thiazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157082565
2-(6-bromoindazol-1-yl)-5-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-5-methyl-1,3-thiazole
CID 157222950
4-(4-bromophenyl)-2-[5-(4-methylphenyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 3777156
2-[4-(3-Bromophenyl)pyrazol-1-yl]-1,3-benzothiazole
CID 80007332
2-[4-(4-Bromophenyl)pyrazol-1-yl]-1,3-benzothiazole
CID 80008048

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole?
The IUPAC name of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole (CID 157477200) is 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole is Brc1ccc2c(c1)CN=C2.Cc1csc(-n2ncc3ccc(Br)cc32)n1.Cc1csc(Br)n1.
What is the InChIKey of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole?
The InChIKey is BVSSLHDOKDJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S.C8H6BrN.C4H4BrNS/c1-7-6-16-11(14-7)15-10-4-9(12)3-2-8(10)5-13-15;9-8-2-1-6-4-10-5-7(6)3-8;1-3-2-7-4(5)6-3/h2-6H,1H3;1-4H,5H2;2H,1H3.
What are the key properties of 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole?
2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole has a molecular weight of 668.28 g/mol, XLogP of 8.15, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindazol-1-yl)-4-methyl-1,3-thiazole;6-bromo-1H-isoindole;2-bromo-4-methyl-1,3-thiazole is sourced from PubChem (CID 157477200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).