2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C10H11F3N2O3S — CID 82227476

IUPAC2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-7(9(16)17)19-6(14-8)5-15-1-3-18-4-2-15/h1-5H2,(H,16,17)
InChIKeyOFUIQKZOGZQKCA-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.69
Rot. Bonds3

About 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82227476) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82227476
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-7(9(16)17)19-6(14-8)5-15-1-3-18-4-2-15/h1-5H2,(H,16,17)
InChIKeyOFUIQKZOGZQKCA-UHFFFAOYSA-N
XLogP1.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Morpholinoethyl)-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester
CID 12194707
Ethyl 2-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 12194708
2-Piperidin-1-ylethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 75413890
2-Piperidin-1-ylethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 19884573
2-(Methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885514
Ethyl 2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)thiazole-5-carboxylate
CID 58428723
2-(Piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 58428847
2-Morpholino-4-(trifluoromethyl)thiazole-5-carboxylic acid
CID 58486431
2-(Aminomethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 67411813
Ethyl 2-[2-(diethylamino)-1-hydroxyethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 69735616
Ethyl 2-[2-(diethylamino)-2-hydroxyethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 69910189
Ethyl 2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 12194709

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82227476) is 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(CN2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OFUIQKZOGZQKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)8-7(9(16)17)19-6(14-8)5-15-1-3-18-4-2-15/h1-5H2,(H,16,17).
What are the key properties of 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).