2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane

C20H18Cl2F3N3O2S — CID 167489766

IUPAC2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane
SMILESC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2F3N3O2S.CH4/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1H4
InChIKeyUYHXOZJYHUNDTF-UHFFFAOYSA-N
MW492.35 g/mol
LogP7.73
Rot. Bonds5

About 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane

2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane (PubChem CID 167489766) has the molecular formula C20H18Cl2F3N3O2S and a molecular weight of 492.35 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane
PubChem CID167489766
Molecular FormulaC20H18Cl2F3N3O2S
Molecular Weight492.35 g/mol
Exact Mass491.04
IUPAC Name2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane
SMILESC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2F3N3O2S.CH4/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1H4
InChIKeyUYHXOZJYHUNDTF-UHFFFAOYSA-N
XLogP7.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.35
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 15949911
2-[[4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-phenylpyridine-3-carboxylic acid
CID 156848928
2-[[4-(2,4-Dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849156
2-[[5-(2-Methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849239
2-[[4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849327
5-Benzyl-2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849475
2-[[4-(3,4-Dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(3-fluorophenyl)pyridine-3-carboxylic acid
CID 156849628
2-[[4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 156850129
2-[[4-(3,4-Dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-4-phenylpyridine-3-carboxylic acid
CID 156849001
2-[[4-(3,4-Dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 156849120
2-[[4-(3,4-Dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylic acid
CID 156849152
2-[[4-(3,4-Dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849211

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane (CID 167489766) is 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane is C.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane?
The InChIKey is UYHXOZJYHUNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O2S.CH4/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1H4.
What are the key properties of 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane?
2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane has a molecular weight of 492.35 g/mol, XLogP of 7.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 167489766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).