5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

C17H8ClF2N3S — CID 139495242

IUPAC5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3n2)c(F)c1Cl
InChIInChI=1S/C17H8ClF2N3S/c18-14-11(19)4-3-10(15(14)20)16-9(2-1-7-21-16)12-5-6-13-17(23-12)24-8-22-13/h1-8H
InChIKeyFIQZCTUMADFKHY-UHFFFAOYSA-N
MW359.79 g/mol
LogP5.35
Rot. Bonds2

About 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine

5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 139495242) has the molecular formula C17H8ClF2N3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID139495242
Molecular FormulaC17H8ClF2N3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1ccc(-c2ncccc2-c2ccc3ncsc3n2)c(F)c1Cl
InChIInChI=1S/C17H8ClF2N3S/c18-14-11(19)4-3-10(15(14)20)16-9(2-1-7-21-16)12-5-6-13-17(23-12)24-8-22-13/h1-8H
InChIKeyFIQZCTUMADFKHY-UHFFFAOYSA-N
XLogP5.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.79
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-Chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
CID 11473228
4-(3-Chloro-4-Fluorophenyl)-5-(1,5-Naphthyridin-2-Yl)-1,3-Thiazol-2-Amine
CID 91885650
4-(3-Chloro-4-fluorophenyl)-5-(8-methyl-1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
CID 145963805
N-[2-chloro-5-([1,3]thiazolo[5,4-b]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 164616377
8-[[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 44305547
6-(3,5-Difluorophenyl)thieno[2,3-b]pyrazine
CID 118712790
4-(3,5-Dichlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
CID 145972962
2-[2-[2-Chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
CID 155543809
2-Phenyl-[1,3]thiazolo[5,4-b]pyridine
CID 353021
4-[(3-Chlorobenzyl)thio]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 30849872
6-Chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
CID 155550836
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine
CID 134954965

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine (CID 139495242) is 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is Fc1ccc(-c2ncccc2-c2ccc3ncsc3n2)c(F)c1Cl.
What is the InChIKey of 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FIQZCTUMADFKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF2N3S/c18-14-11(19)4-3-10(15(14)20)16-9(2-1-7-21-16)12-5-6-13-17(23-12)24-8-22-13/h1-8H.
What are the key properties of 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine?
5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 359.79 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 139495242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).