N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C17H10F4N2O2S — CID 167959605

IUPACN-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1c(F)cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)cc1F
InChIInChI=1S/C17H10F4N2O2S/c1-25-15-11(20)5-8(6-12(15)21)22-16(24)13-7-26-17(23-13)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,22,24)
InChIKeyWKHTXWDAHMNIQQ-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.63
Rot. Bonds4

About N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 167959605) has the molecular formula C17H10F4N2O2S and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID167959605
Molecular FormulaC17H10F4N2O2S
Molecular Weight382.34 g/mol
Exact Mass382.04
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1c(F)cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)cc1F
InChIInChI=1S/C17H10F4N2O2S/c1-25-15-11(20)5-8(6-12(15)21)22-16(24)13-7-26-17(23-13)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,22,24)
InChIKeyWKHTXWDAHMNIQQ-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 119522621
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066918
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285345
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate
CID 86847269

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 167959605) is N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is COc1c(F)cc(NC(=O)c2csc(-c3c(F)cccc3F)n2)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WKHTXWDAHMNIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2S/c1-25-15-11(20)5-8(6-12(15)21)22-16(24)13-7-26-17(23-13)14-9(18)3-2-4-10(14)19/h2-7H,1H3,(H,22,24).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167959605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).