N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C17H12F3N3O3S2 — CID 54670324

IUPACN-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1
InChIInChI=1S/C17H12F3N3O3S2/c18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13/h1-7H,8-9H2,(H,22,23,24)
InChIKeyBDMKFPIDFLVMAZ-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.51
Rot. Bonds6

About N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 54670324) has the molecular formula C17H12F3N3O3S2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID54670324
Molecular FormulaC17H12F3N3O3S2
Molecular Weight427.43 g/mol
Exact Mass427.03
IUPAC NameN-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1
InChIInChI=1S/C17H12F3N3O3S2/c18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13/h1-7H,8-9H2,(H,22,23,24)
InChIKeyBDMKFPIDFLVMAZ-UHFFFAOYSA-N
XLogP3.51
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-cyclopropyl-5-[(2,6-difluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 54670690
N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 88889458
N-[5-[1-[(2,6-difluorophenyl)methyl]-2,3-dioxocyclopropyl]-4-propan-2-yl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 123810250
N-[5-[(2-chloro-4-methylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-(difluoromethyl)-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 160538819
(2-chlorophenyl)methyl 4-methyl-2-(pyridine-2-carbonylamino)-1,3-thiazole-5-sulfonate
CID 174685813
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 54670324) is N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(CF)c(S(=O)(=O)Cc2c(F)cccc2F)s1)c1ccccn1.
What is the InChIKey of N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is BDMKFPIDFLVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S2/c18-8-14-16(28(25,26)9-10-11(19)4-3-5-12(10)20)27-17(22-14)23-15(24)13-6-1-2-7-21-13/h1-7H,8-9H2,(H,22,23,24).
What are the key properties of N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-difluorophenyl)methylsulfonyl]-4-(fluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).