N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C21H20F3N5OS — CID 112793379

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCN1CCc2nc(NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C21H20F3N5OS/c1-2-29-10-8-16-17(12-29)31-20(27-16)28-19(30)15-7-4-9-25-18(15)26-14-6-3-5-13(11-14)21(22,23)24/h3-7,9,11H,2,8,10,12H2,1H3,(H,25,26)(H,27,28,30)
InChIKeyOTILODOKPJXLJR-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.93
Rot. Bonds5

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 112793379) has the molecular formula C21H20F3N5OS and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID112793379
Molecular FormulaC21H20F3N5OS
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCN1CCc2nc(NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C21H20F3N5OS/c1-2-29-10-8-16-17(12-29)31-20(27-16)28-19(30)15-7-4-9-25-18(15)26-14-6-3-5-13(11-14)21(22,23)24/h3-7,9,11H,2,8,10,12H2,1H3,(H,25,26)(H,27,28,30)
InChIKeyOTILODOKPJXLJR-UHFFFAOYSA-N
XLogP4.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 78821805
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
methyl N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529033
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061
5-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167840338
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90529523
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528592
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 86917165
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 29412679
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpropanamide
CID 120594561
2-(3-fluoroanilino)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55791615

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 112793379) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCN1CCc2nc(NC(=O)c3cccnc3Nc3cccc(C(F)(F)F)c3)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is OTILODOKPJXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5OS/c1-2-29-10-8-16-17(12-29)31-20(27-16)28-19(30)15-7-4-9-25-18(15)26-14-6-3-5-13(11-14)21(22,23)24/h3-7,9,11H,2,8,10,12H2,1H3,(H,25,26)(H,27,28,30).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 112793379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).