N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide

C20H16F3N3O2S — CID 157037449

IUPACN-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2c(c1)c1csnc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O2S/c1-11(9-27)24-19(28)12-2-7-17-15(8-12)16-10-29-25-18(16)26(17)14-5-3-13(4-6-14)20(21,22)23/h2-8,10-11,27H,9H2,1H3,(H,24,28)/t11-/m1/s1
InChIKeySSRBIGRMINAQTK-LLVKDONJSA-N
MW419.43 g/mol
LogP4.37
Rot. Bonds4

About N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide (PubChem CID 157037449) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
PubChem CID157037449
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2c(c1)c1csnc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O2S/c1-11(9-27)24-19(28)12-2-7-17-15(8-12)16-10-29-25-18(16)26(17)14-5-3-13(4-6-14)20(21,22)23/h2-8,10-11,27H,9H2,1H3,(H,24,28)/t11-/m1/s1
InChIKeySSRBIGRMINAQTK-LLVKDONJSA-N
XLogP4.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
CID 166838337
N-(1-hydroxypropan-2-yl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037940
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838335
N-[(1R,2S)-2-hydroxy-1-phenylpropyl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
CID 166838154
N-[(2S)-1-hydroxypropan-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 157037753
N-[(1-methylimidazol-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide
CID 157037031
N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
CID 162680873
2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 166838348
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-c][1,8]naphthyridine-8-carboxamide
CID 176741324
N-(2,3-dihydroxypropyl)-3-methyl-4-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]indole-7-carboxamide
CID 166838237
3-methylbutan-1-ol;2-methyl-4-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-b]indole-7-carboxamide
CID 157037356
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
CID 176741241

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide (CID 157037449) is N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide is C[C@H](CO)NC(=O)c1ccc2c(c1)c1csnc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide?
The InChIKey is SSRBIGRMINAQTK-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-11(9-27)24-19(28)12-2-7-17-15(8-12)16-10-29-25-18(16)26(17)14-5-3-13(4-6-14)20(21,22)23/h2-8,10-11,27H,9H2,1H3,(H,24,28)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[3,4-b]indole-7-carboxamide is sourced from PubChem (CID 157037449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).