N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide

C18H16F3N3O2S2 — CID 58496016

IUPACN-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1sc(Cc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C18H16F3N3O2S2/c1-28(25,26)23-11-15-17(13-5-3-7-22-10-13)24-16(27-15)9-12-4-2-6-14(8-12)18(19,20)21/h2-8,10,23H,9,11H2,1H3
InChIKeySFRPKJUFSQKVOC-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.86
Rot. Bonds6

About N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide

N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide (PubChem CID 58496016) has the molecular formula C18H16F3N3O2S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide
PubChem CID58496016
Molecular FormulaC18H16F3N3O2S2
Molecular Weight427.47 g/mol
Exact Mass427.06
IUPAC NameN-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1sc(Cc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C18H16F3N3O2S2/c1-28(25,26)23-11-15-17(13-5-3-7-22-10-13)24-16(27-15)9-12-4-2-6-14(8-12)18(19,20)21/h2-8,10,23H,9,11H2,1H3
InChIKeySFRPKJUFSQKVOC-UHFFFAOYSA-N
XLogP3.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide (CID 58496016) is N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1sc(Cc2cccc(C(F)(F)F)c2)nc1-c1cccnc1.
What is the InChIKey of N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide?
The InChIKey is SFRPKJUFSQKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S2/c1-28(25,26)23-11-15-17(13-5-3-7-22-10-13)24-16(27-15)9-12-4-2-6-14(8-12)18(19,20)21/h2-8,10,23H,9,11H2,1H3.
What are the key properties of N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide?
N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 427.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 58496016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).