2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol

C19H15FN4OS — CID 135407417

IUPAC2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1nc(NCCc2cccc(F)c2)sc1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C19H15FN4OS/c20-14-4-1-3-12(9-14)6-8-22-19-24-18(25)16(26-19)10-13-11-23-17-15(13)5-2-7-21-17/h1-5,7,9-11,25H,6,8H2,(H,22,24)/b13-10+
InChIKeyDMDRICXAAVZDBK-JLHYYAGUSA-N
MW366.42 g/mol
LogP4.29
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol

2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135407417) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID135407417
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESOc1nc(NCCc2cccc(F)c2)sc1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C19H15FN4OS/c20-14-4-1-3-12(9-14)6-8-22-19-24-18(25)16(26-19)10-13-11-23-17-15(13)5-2-7-21-17/h1-5,7,9-11,25H,6,8H2,(H,22,24)/b13-10+
InChIKeyDMDRICXAAVZDBK-JLHYYAGUSA-N
XLogP4.29
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137140664
2-[2-chloro-4-[2-(dimethylamino)ethoxy]anilino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 137082220
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
4-hydroxy-2-(2-phenylethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylic acid
CID 172843704
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-ol;2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 162027362
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
CID 135950283
2-(propylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712522
2-[2-(3-fluorophenyl)ethyl]-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
CID 136893064
N-[[5-(2-chloro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2-(3-fluorophenyl)ethanamine
CID 53273220
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135407417) is 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol is Oc1nc(NCCc2cccc(F)c2)sc1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is DMDRICXAAVZDBK-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-14-4-1-3-12(9-14)6-8-22-19-24-18(25)16(26-19)10-13-11-23-17-15(13)5-2-7-21-17/h1-5,7,9-11,25H,6,8H2,(H,22,24)/b13-10+.
What are the key properties of 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol?
2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 366.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylamino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135407417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).