N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H13F3N2O3S2 — CID 60599161

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F3N2O3S2/c1-10-15(27-17(22-10)11-6-8-12(19)9-7-11)16(24)23-13-4-2-3-5-14(13)28(25,26)18(20)21/h2-9,18H,1H3,(H,23,24)
InChIKeyHXJFOYKDJZHWSF-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.51
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 60599161) has the molecular formula C18H13F3N2O3S2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID60599161
Molecular FormulaC18H13F3N2O3S2
Molecular Weight426.44 g/mol
Exact Mass426.03
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F3N2O3S2/c1-10-15(27-17(22-10)11-6-8-12(19)9-7-11)16(24)23-13-4-2-3-5-14(13)28(25,26)18(20)21/h2-9,18H,1H3,(H,23,24)
InChIKeyHXJFOYKDJZHWSF-UHFFFAOYSA-N
XLogP4.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylbenzoic acid
CID 108801089
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55454420
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 60599161) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HXJFOYKDJZHWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S2/c1-10-15(27-17(22-10)11-6-8-12(19)9-7-11)16(24)23-13-4-2-3-5-14(13)28(25,26)18(20)21/h2-9,18H,1H3,(H,23,24).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60599161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).