[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone

C11H5Cl2F2NOS — CID 91926186

IUPAC[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1sc(Cl)nc1C(F)F
InChIInChI=1S/C11H5Cl2F2NOS/c12-6-3-1-2-5(4-6)8(17)9-7(10(14)15)16-11(13)18-9/h1-4,10H
InChIKeyAROKWUUHSJXYFT-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.62
Rot. Bonds3

About [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone

[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone (PubChem CID 91926186) has the molecular formula C11H5Cl2F2NOS and a molecular weight of 308.14 g/mol. Its IUPAC name is [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
PubChem CID91926186
Molecular FormulaC11H5Cl2F2NOS
Molecular Weight308.14 g/mol
Exact Mass306.94
IUPAC Name[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1sc(Cl)nc1C(F)F
InChIInChI=1S/C11H5Cl2F2NOS/c12-6-3-1-2-5(4-6)8(17)9-7(10(14)15)16-11(13)18-9/h1-4,10H
InChIKeyAROKWUUHSJXYFT-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
5-(3-chlorobenzoyl)-4-propan-2-yl-3H-1,3-thiazol-2-one
CID 23051815
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 88566066
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
CID 24798848
CID 24798848
(3-chlorophenyl)-(thiadiazol-4-yl)methanone
CID 105082748
(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone
CID 162417493
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
5-(3-chlorobenzoyl)furan-2-carboxylic acid
CID 21387643

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone (CID 91926186) is [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)c1sc(Cl)nc1C(F)F.
What is the InChIKey of [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
The InChIKey is AROKWUUHSJXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2NOS/c12-6-3-1-2-5(4-6)8(17)9-7(10(14)15)16-11(13)18-9/h1-4,10H.
What are the key properties of [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone?
[2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone has a molecular weight of 308.14 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(difluoromethyl)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 91926186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).