ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C21H20F6N4O2S — CID 156849194

IUPACethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC.CC(C)c1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H14F6N4O2S.C2H6/c1-8(2)14-13(9-3-4-12(26-6-9)19(23,24)25)28-17(32-14)29-15-11(16(30)31)5-10(7-27-15)18(20,21)22;1-2/h3-8H,1-2H3,(H,30,31)(H,27,28,29);1-2H3
InChIKeyPXLXEIAZLMGLPQ-UHFFFAOYSA-N
MW506.47 g/mol
LogP7.23
Rot. Bonds5

About ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 156849194) has the molecular formula C21H20F6N4O2S and a molecular weight of 506.47 g/mol. Its IUPAC name is ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID156849194
Molecular FormulaC21H20F6N4O2S
Molecular Weight506.47 g/mol
Exact Mass506.12
IUPAC Nameethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC.CC(C)c1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H14F6N4O2S.C2H6/c1-8(2)14-13(9-3-4-12(26-6-9)19(23,24)25)28-17(32-14)29-15-11(16(30)31)5-10(7-27-15)18(20,21)22;1-2/h3-8H,1-2H3,(H,30,31)(H,27,28,29);1-2H3
InChIKeyPXLXEIAZLMGLPQ-UHFFFAOYSA-N
XLogP7.23
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.47
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

6'-[(Ethylcarbamoyl)amino]-4'-[4-(Trifluoromethyl)-1,3-Thiazol-2-Yl]-3,3'-Bipyridine-5-Carboxylic Acid
CID 59208355
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-methylpyridin-2-yl)piperidine-4-carboxylic acid
CID 15949077
1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 15949911
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 15950250
5-{2-[(4-Piperazin-1-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinic acid
CID 15979633
5-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
CID 25126469
5-fluoro-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 70978051
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 44564682
1-(3-Cyano-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 44564683
5-[6-(Ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 145980410
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)pyrrolidine-3-carboxylic acid
CID 15950335

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 156849194) is ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is CC.CC(C)c1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PXLXEIAZLMGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O2S.C2H6/c1-8(2)14-13(9-3-4-12(26-6-9)19(23,24)25)28-17(32-14)29-15-11(16(30)31)5-10(7-27-15)18(20,21)22;1-2/h3-8H,1-2H3,(H,30,31)(H,27,28,29);1-2H3.
What are the key properties of ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 506.47 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[5-propan-2-yl-4-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 156849194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).