3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide

C23H19F3N4OS — CID 91254573

IUPAC3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(-c3ccc4nc(N)sc4n3)c2)cc1C(F)(F)F
InChIInChI=1S/C23H19F3N4OS/c1-3-13-6-7-15(11-17(13)23(24,25)26)28-20(31)14-5-4-12(2)16(10-14)18-8-9-19-21(29-18)32-22(27)30-19/h4-11H,3H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyUWPWWMSQGJFBNB-UHFFFAOYSA-N
MW456.49 g/mol
LogP6.08
Rot. Bonds4

About 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide

3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 91254573) has the molecular formula C23H19F3N4OS and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID91254573
Molecular FormulaC23H19F3N4OS
Molecular Weight456.49 g/mol
Exact Mass456.12
IUPAC Name3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(-c3ccc4nc(N)sc4n3)c2)cc1C(F)(F)F
InChIInChI=1S/C23H19F3N4OS/c1-3-13-6-7-15(11-17(13)23(24,25)26)28-20(31)14-5-4-12(2)16(10-14)18-8-9-19-21(29-18)32-22(27)30-19/h4-11H,3H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyUWPWWMSQGJFBNB-UHFFFAOYSA-N
XLogP6.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
CID 51359962
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 49839584
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 49838621
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 49838870
N-[5-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 49838989
3-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 49839465
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 49839582
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 49839583
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 49839934
3-(2-(Cyclopropanecarboxamido)thiazolo[5,4-b]pyridin-5-yl)-N-(4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl)benzamide
CID 137332069
2-[(6-methyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 44320871

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 91254573) is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide is CCc1ccc(NC(=O)c2ccc(C)c(-c3ccc4nc(N)sc4n3)c2)cc1C(F)(F)F.
What is the InChIKey of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is UWPWWMSQGJFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4OS/c1-3-13-6-7-15(11-17(13)23(24,25)26)28-20(31)14-5-4-12(2)16(10-14)18-8-9-19-21(29-18)32-22(27)30-19/h4-11H,3H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 456.49 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 91254573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).