5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane

C21H26F3N5S — CID 143508987

IUPAC5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane
SMILESCC.FC(F)(F)c1ccc(CCCNC2=NCC(c3cnc4c(c3)CCN4)S2)cn1
InChIInChI=1S/C19H20F3N5S.C2H6/c20-19(21,22)16-4-3-12(9-25-16)2-1-6-24-18-27-11-15(28-18)14-8-13-5-7-23-17(13)26-10-14;1-2/h3-4,8-10,15H,1-2,5-7,11H2,(H,23,26)(H,24,27);1-2H3
InChIKeyVPGRDZDKBLEYAX-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.86
Rot. Bonds5

About 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane

5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane (PubChem CID 143508987) has the molecular formula C21H26F3N5S and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane
PubChem CID143508987
Molecular FormulaC21H26F3N5S
Molecular Weight437.54 g/mol
Exact Mass437.19
IUPAC Name5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane
SMILESCC.FC(F)(F)c1ccc(CCCNC2=NCC(c3cnc4c(c3)CCN4)S2)cn1
InChIInChI=1S/C19H20F3N5S.C2H6/c20-19(21,22)16-4-3-12(9-25-16)2-1-6-24-18-27-11-15(28-18)14-8-13-5-7-23-17(13)26-10-14;1-2/h3-4,8-10,15H,1-2,5-7,11H2,(H,23,26)(H,24,27);1-2H3
InChIKeyVPGRDZDKBLEYAX-UHFFFAOYSA-N
XLogP4.86
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane with MolForge

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Related Compounds

[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(5-methyl-pyridin-2-yl)-amine
CID 972745
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 1092431
2-N-(3-aminopropyl)-6-N-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
CID 57867482
6'-[(3S)-3-aminopyrrolidin-1-yl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]-2,3'-bipyridin-6-amine
CID 86732001
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 49792610
N-cyclopropyl-5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135689454
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 46942634
4-(1-amino-2-phenylethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 46943528
4-[amino(phenyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 46943745
4-[amino(cyclohexyl)methyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 49778596
4-(1-amino-3-methylbutyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 49786319
4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 49789567

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane?
The IUPAC name of 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane (CID 143508987) is 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane?
The canonical SMILES for 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane is CC.FC(F)(F)c1ccc(CCCNC2=NCC(c3cnc4c(c3)CCN4)S2)cn1.
What is the InChIKey of 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane?
The InChIKey is VPGRDZDKBLEYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5S.C2H6/c20-19(21,22)16-4-3-12(9-25-16)2-1-6-24-18-27-11-15(28-18)14-8-13-5-7-23-17(13)26-10-14;1-2/h3-4,8-10,15H,1-2,5-7,11H2,(H,23,26)(H,24,27);1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane?
5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane has a molecular weight of 437.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 143508987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).