N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C21H18F3N3OS — CID 31245887

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C21H18F3N3OS/c1-27-11-10-17-18(12-27)29-20(25-17)26-19(28)16-5-3-2-4-15(16)13-6-8-14(9-7-13)21(22,23)24/h2-9H,10-12H2,1H3,(H,25,26,28)
InChIKeyIYARRLASVXRVMS-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.07
Rot. Bonds3

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 31245887) has the molecular formula C21H18F3N3OS and a molecular weight of 417.46 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID31245887
Molecular FormulaC21H18F3N3OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C21H18F3N3OS/c1-27-11-10-17-18(12-27)29-20(25-17)26-19(28)16-5-3-2-4-15(16)13-6-8-14(9-7-13)21(22,23)24/h2-9H,10-12H2,1H3,(H,25,26,28)
InChIKeyIYARRLASVXRVMS-UHFFFAOYSA-N
XLogP5.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167914935
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 27837336
2,4-dichloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421659
3-methoxy-1-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 167972155
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(trifluoromethyl)benzamide
CID 90532456
4,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 84560679
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 27161442
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 35340966
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 31245887) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is CN1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IYARRLASVXRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3OS/c1-27-11-10-17-18(12-27)29-20(25-17)26-19(28)16-5-3-2-4-15(16)13-6-8-14(9-7-13)21(22,23)24/h2-9H,10-12H2,1H3,(H,25,26,28).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 417.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 31245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).