(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone

C18H9Cl2NO2S — CID 23877793

IUPAC(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C18H9Cl2NO2S/c19-12-6-11-7-15(23-17(11)13(20)8-12)16(22)14-9-24-18(21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyDXRNJNSCRDJHOQ-UHFFFAOYSA-N
MW374.25 g/mol
LogP6.09
Rot. Bonds3

About (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone

(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 23877793) has the molecular formula C18H9Cl2NO2S and a molecular weight of 374.25 g/mol. Its IUPAC name is (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID23877793
Molecular FormulaC18H9Cl2NO2S
Molecular Weight374.25 g/mol
Exact Mass372.97
IUPAC Name(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C18H9Cl2NO2S/c19-12-6-11-7-15(23-17(11)13(20)8-12)16(22)14-9-24-18(21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyDXRNJNSCRDJHOQ-UHFFFAOYSA-N
XLogP6.09
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.25
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(5,7-dichloro-1-benzofuran-2-yl)methanone
CID 23962006
(2-fluorophenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 25259516
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20991355
(Z)-2-(2-phenyl-1,3-thiazol-4-yl)but-2-enoic acid
CID 58657658
2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22680662
2-chloro-2-methoxy-2-[2-methoxy-4-(2-phenyl-1,3-thiazole-4-carbonyl)phenyl]acetic acid
CID 175108437
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 23877793) is (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccc2)n1)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is DXRNJNSCRDJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2NO2S/c19-12-6-11-7-15(23-17(11)13(20)8-12)16(22)14-9-24-18(21-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
(5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 374.25 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-1-benzofuran-2-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 23877793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).