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

C18H14F2N2O2S2 — CID 99817225

IUPACN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1
InChIInChI=1S/C18H14F2N2O2S2/c1-10-16(25-18(21-10)11-3-5-12(19)6-4-11)17(23)22-13-7-8-15(26(2)24)14(20)9-13/h3-9H,1-2H3,(H,22,23)/t26-/m1/s1
InChIKeyUVBUXGFOAFCQEU-AREMUKBSSA-N
MW392.45 g/mol
LogP4.39
Rot. Bonds4

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

N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99817225) has the molecular formula C18H14F2N2O2S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99817225
Molecular FormulaC18H14F2N2O2S2
Molecular Weight392.45 g/mol
Exact Mass392.05
IUPAC NameN-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1
InChIInChI=1S/C18H14F2N2O2S2/c1-10-16(25-18(21-10)11-3-5-12(19)6-4-11)17(23)22-13-7-8-15(26(2)24)14(20)9-13/h3-9H,1-2H3,(H,22,23)/t26-/m1/s1
InChIKeyUVBUXGFOAFCQEU-AREMUKBSSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47083879
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
2-methylpropyl 4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108788246
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788224
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801114
propyl 3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 108801151
3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylbenzoic acid
CID 108801089

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 99817225) is N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc([S@@](C)=O)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UVBUXGFOAFCQEU-AREMUKBSSA-N. The full InChI is InChI=1S/C18H14F2N2O2S2/c1-10-16(25-18(21-10)11-3-5-12(19)6-4-11)17(23)22-13-7-8-15(26(2)24)14(20)9-13/h3-9H,1-2H3,(H,22,23)/t26-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).