5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole

C25H12Br3NOS2 — CID 141017165

IUPAC5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole
SMILESBrc1cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc(Br)c1Oc1cncs1
InChIInChI=1S/C25H12Br3NOS2/c26-17-9-13(10-18(27)24(17)30-20-11-29-12-31-20)21-14-5-1-2-6-15(14)23(28)25-22(21)16-7-3-4-8-19(16)32-25/h1-12H
InChIKeyWEGWMTCDRWGOSX-UHFFFAOYSA-N
MW646.22 g/mol
LogP10.41
Rot. Bonds3

About 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole

5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole (PubChem CID 141017165) has the molecular formula C25H12Br3NOS2 and a molecular weight of 646.22 g/mol. Its IUPAC name is 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole
PubChem CID141017165
Molecular FormulaC25H12Br3NOS2
Molecular Weight646.22 g/mol
Exact Mass642.79
IUPAC Name5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole
SMILESBrc1cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc(Br)c1Oc1cncs1
InChIInChI=1S/C25H12Br3NOS2/c26-17-9-13(10-18(27)24(17)30-20-11-29-12-31-20)21-14-5-1-2-6-15(14)23(28)25-22(21)16-7-3-4-8-19(16)32-25/h1-12H
InChIKeyWEGWMTCDRWGOSX-UHFFFAOYSA-N
XLogP10.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.22
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]propanoic acid
CID 18687798
11-(3,5-dibromo-4-hydroxyphenyl)naphtho[2,3-b][1]benzothiole-6-carbonitrile
CID 18687858
2-bromo-4-[6-(trifluoromethyl)naphtho[3,2-b][1]benzothiol-11-yl]phenol
CID 174451142
5-bromo-6-phenylnaphtho[2,1-b][1]benzothiole
CID 11165166
4,6-diphenyl-2-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)pyrimidine
CID 162712659
[4-(6-chloronaphtho[3,2-b][1]benzothiol-11-yl)phenyl] methanesulfonate
CID 15481263
9,11,20,22-tetrathiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaene
CID 102289463
CID 159754712
CID 159754712
4-bromo-1-methyldibenzothiophene
CID 123624432
methyl (2R)-2-[3-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)-2,6-difluorophenoxy]propanoate
CID 86755715
7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 163919347
(2R)-2-[2,6-dibromo-4-(6-phenyl-1-sulfanylnaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenylpropanoic acid
CID 70197688

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole?
The IUPAC name of 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole (CID 141017165) is 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole.
What is the SMILES notation for 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole?
The canonical SMILES for 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole is Brc1cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc(Br)c1Oc1cncs1.
What is the InChIKey of 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole?
The InChIKey is WEGWMTCDRWGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12Br3NOS2/c26-17-9-13(10-18(27)24(17)30-20-11-29-12-31-20)21-14-5-1-2-6-15(14)23(28)25-22(21)16-7-3-4-8-19(16)32-25/h1-12H.
What are the key properties of 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole?
5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole has a molecular weight of 646.22 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-1,3-thiazole is sourced from PubChem (CID 141017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).