N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C16H12F3N3O2S2 — CID 22049758

IUPACN-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc(-c3cnccc3C(F)(F)F)n2)c1
InChIInChI=1S/C16H12F3N3O2S2/c1-26(23,24)22-11-4-2-3-10(7-11)14-9-25-15(21-14)12-8-20-6-5-13(12)16(17,18)19/h2-9,22H,1H3
InChIKeyPDBONCOLPXZOPW-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.26
Rot. Bonds4

About N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 22049758) has the molecular formula C16H12F3N3O2S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID22049758
Molecular FormulaC16H12F3N3O2S2
Molecular Weight399.42 g/mol
Exact Mass399.03
IUPAC NameN-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc(-c3cnccc3C(F)(F)F)n2)c1
InChIInChI=1S/C16H12F3N3O2S2/c1-26(23,24)22-11-4-2-3-10(7-11)14-9-25-15(21-14)12-8-20-6-5-13(12)16(17,18)19/h2-9,22H,1H3
InChIKeyPDBONCOLPXZOPW-UHFFFAOYSA-N
XLogP4.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
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N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 22049758) is N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc(-c3cnccc3C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is PDBONCOLPXZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S2/c1-26(23,24)22-11-4-2-3-10(7-11)14-9-25-15(21-14)12-8-20-6-5-13(12)16(17,18)19/h2-9,22H,1H3.
What are the key properties of N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 399.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22049758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).