4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole

C17H9BrClNOS — CID 146460725

IUPAC4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
SMILESClc1cc(Br)ccc1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C17H9BrClNOS/c18-11-5-6-12(13(19)8-11)17-20-14(9-22-17)16-7-10-3-1-2-4-15(10)21-16/h1-9H
InChIKeyKDPFJPUQGONDDS-UHFFFAOYSA-N
MW390.69 g/mol
LogP6.64
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole

4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole (PubChem CID 146460725) has the molecular formula C17H9BrClNOS and a molecular weight of 390.69 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
PubChem CID146460725
Molecular FormulaC17H9BrClNOS
Molecular Weight390.69 g/mol
Exact Mass388.93
IUPAC Name4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
SMILESClc1cc(Br)ccc1-c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C17H9BrClNOS/c18-11-5-6-12(13(19)8-11)17-20-14(9-22-17)16-7-10-3-1-2-4-15(10)21-16/h1-9H
InChIKeyKDPFJPUQGONDDS-UHFFFAOYSA-N
XLogP6.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.69
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
3-[2-(6-bromo-2-iminochromen-3-yl)-1,3-thiazol-4-yl]chromen-2-one
CID 3535291
6-bromo-3-[2-(2-iminochromen-3-yl)-1,3-thiazol-4-yl]chromen-2-one
CID 4694725
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-bromophenyl)prop-2-enenitrile
CID 4313225
3-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]chromen-2-one
CID 134065400
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-[2-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-4-yl]benzo[f]chromen-3-one
CID 2185414
2-(3-bromo-5-chlorophenyl)-1-benzofuran
CID 144661039
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole (CID 146460725) is 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole is Clc1cc(Br)ccc1-c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole?
The InChIKey is KDPFJPUQGONDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClNOS/c18-11-5-6-12(13(19)8-11)17-20-14(9-22-17)16-7-10-3-1-2-4-15(10)21-16/h1-9H.
What are the key properties of 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole has a molecular weight of 390.69 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 146460725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).