2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

C19H14ClF3N4O2S2 — CID 122646952

IUPAC2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESCCS(=O)(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H14ClF3N4O2S2/c1-3-31(28,29)18-15(26-17(30-18)10-4-6-11(20)7-5-10)16-25-12-8-14(19(21,22)23)24-9-13(12)27(16)2/h4-9H,3H2,1-2H3
InChIKeyOLBMOTNWHLRLJZ-UHFFFAOYSA-N
MW486.93 g/mol
LogP5.22
Rot. Bonds4

About 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole

2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (PubChem CID 122646952) has the molecular formula C19H14ClF3N4O2S2 and a molecular weight of 486.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
PubChem CID122646952
Molecular FormulaC19H14ClF3N4O2S2
Molecular Weight486.93 g/mol
Exact Mass486.02
IUPAC Name2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
SMILESCCS(=O)(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H14ClF3N4O2S2/c1-3-31(28,29)18-15(26-17(30-18)10-4-6-11(20)7-5-10)16-25-12-8-14(19(21,22)23)24-9-13(12)27(16)2/h4-9H,3H2,1-2H3
InChIKeyOLBMOTNWHLRLJZ-UHFFFAOYSA-N
XLogP5.22
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235428
2-[5-(4-chloro-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438567
2-[5-ethylsulfonyl-2-(6-fluoro-3-pyridinyl)-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235288
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole
CID 135235226
2-[6-(4-chlorophenyl)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166991071
2-chloro-5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]benzonitrile
CID 135235337
2-[5-(6-chloro-5-methyl-3-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438487
2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
2-[4-chloro-5-(4-chlorophenyl)-3-ethylsulfanylthiophen-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122641739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole (CID 122646952) is 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is CCS(=O)(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
The InChIKey is OLBMOTNWHLRLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2S2/c1-3-31(28,29)18-15(26-17(30-18)10-4-6-11(20)7-5-10)16-25-12-8-14(19(21,22)23)24-9-13(12)27(16)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole?
2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole has a molecular weight of 486.93 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 122646952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).