6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine

C20H12FN5S2 — CID 123504123

IUPAC6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1ccc2cc(-c3ncccn3)sc2n1
InChIInChI=1S/C20H12FN5S2/c1-11-17(28-20(25-11)13-7-14(21)10-22-9-13)15-4-3-12-8-16(27-19(12)26-15)18-23-5-2-6-24-18/h2-10H,1H3
InChIKeyNHJRGKOTUZFDJW-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.39
Rot. Bonds3

About 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine

6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine (PubChem CID 123504123) has the molecular formula C20H12FN5S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine
PubChem CID123504123
Molecular FormulaC20H12FN5S2
Molecular Weight405.48 g/mol
Exact Mass405.05
IUPAC Name6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1ccc2cc(-c3ncccn3)sc2n1
InChIInChI=1S/C20H12FN5S2/c1-11-17(28-20(25-11)13-7-14(21)10-22-9-13)15-4-3-12-8-16(27-19(12)26-15)18-23-5-2-6-24-18/h2-10H,1H3
InChIKeyNHJRGKOTUZFDJW-UHFFFAOYSA-N
XLogP5.39
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine with MolForge

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Related Compounds

TH1020
CID 124203921
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
6-Butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 118059092
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
12-Benzyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190904
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine (CID 123504123) is 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine is Cc1nc(-c2cncc(F)c2)sc1-c1ccc2cc(-c3ncccn3)sc2n1.
What is the InChIKey of 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine?
The InChIKey is NHJRGKOTUZFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5S2/c1-11-17(28-20(25-11)13-7-14(21)10-22-9-13)15-4-3-12-8-16(27-19(12)26-15)18-23-5-2-6-24-18/h2-10H,1H3.
What are the key properties of 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine?
6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine has a molecular weight of 405.48 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-pyrimidin-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 123504123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).