5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile

C20H19FN4OS — CID 58791523

IUPAC5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C#N)nc3)cs2)cc1F
InChIInChI=1S/C20H19FN4OS/c1-2-3-4-9-26-19-8-7-15(10-17(19)21)24-20-25-18(13-27-20)14-5-6-16(11-22)23-12-14/h5-8,10,12-13H,2-4,9H2,1H3,(H,24,25)
InChIKeyQPRBVBSUIXDFCW-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.53
Rot. Bonds8

About 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile

5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile (PubChem CID 58791523) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
PubChem CID58791523
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C#N)nc3)cs2)cc1F
InChIInChI=1S/C20H19FN4OS/c1-2-3-4-9-26-19-8-7-15(10-17(19)21)24-20-25-18(13-27-20)14-5-6-16(11-22)23-12-14/h5-8,10,12-13H,2-4,9H2,1H3,(H,24,25)
InChIKeyQPRBVBSUIXDFCW-UHFFFAOYSA-N
XLogP5.53
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-fluoro-3-pyridinyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791211
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 58791233
5-[2-[4-(cyclohexylmethoxy)-3-methylanilino]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 143328731
4-(3,4-difluorophenyl)-N-(6-octoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 58791205
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-quinolin-3-yl-1,3-thiazol-2-amine
CID 58791436
N-cyclopropyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 58791917
methyl-[5-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]carbamic acid
CID 87424031
4-(6-chloro-5-methyl-3-pyridinyl)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791870
4-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 58791906
ethane;4-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzene-1,2-diol
CID 143328650
5-[2-[3-(1,1-difluoroethyl)-4-octoxyanilino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 58791999
5-[2-[(4-octoxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 158489870

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile (CID 58791523) is 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile is CCCCCOc1ccc(Nc2nc(-c3ccc(C#N)nc3)cs2)cc1F.
What is the InChIKey of 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is QPRBVBSUIXDFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-2-3-4-9-26-19-8-7-15(10-17(19)21)24-20-25-18(13-27-20)14-5-6-16(11-22)23-12-14/h5-8,10,12-13H,2-4,9H2,1H3,(H,24,25).
What are the key properties of 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 382.46 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 58791523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).