N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C17H11ClF2N2O2S — CID 28550562

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C17H11ClF2N2O2S/c1-24-14-6-5-9(7-10(14)18)13-8-25-17(21-13)22-16(23)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,21,22,23)
InChIKeyHZUCHLYFCOVFHL-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.00
Rot. Bonds4

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 28550562) has the molecular formula C17H11ClF2N2O2S and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID28550562
Molecular FormulaC17H11ClF2N2O2S
Molecular Weight380.80 g/mol
Exact Mass380.02
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1Cl
InChIInChI=1S/C17H11ClF2N2O2S/c1-24-14-6-5-9(7-10(14)18)13-8-25-17(21-13)22-16(23)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,21,22,23)
InChIKeyHZUCHLYFCOVFHL-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39097245
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-2-iodobenzamide
CID 38928487
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 28550562) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is COc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is HZUCHLYFCOVFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O2S/c1-24-14-6-5-9(7-10(14)18)13-8-25-17(21-13)22-16(23)15-11(19)3-2-4-12(15)20/h2-8H,1H3,(H,21,22,23).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 380.80 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 28550562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).