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

C20H12FN5S2 — CID 123891055

IUPAC4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C20H12FN5S2/c1-11-18(28-20(25-11)12-7-13(21)10-22-9-12)17-14-3-6-27-16(14)8-15(26-17)19-23-4-2-5-24-19/h2-10H,1H3
InChIKeyAVROBZGNCVLLQP-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.39
Rot. Bonds3

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

4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine (PubChem CID 123891055) has the molecular formula C20H12FN5S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine
PubChem CID123891055
Molecular FormulaC20H12FN5S2
Molecular Weight405.48 g/mol
Exact Mass405.05
IUPAC Name4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C20H12FN5S2/c1-11-18(28-20(25-11)12-7-13(21)10-22-9-12)17-14-3-6-27-16(14)8-15(26-17)19-23-4-2-5-24-19/h2-10H,1H3
InChIKeyAVROBZGNCVLLQP-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 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine with MolForge

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Related Compounds

TH1020
CID 124203921
2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
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
S-21007
CID 9863146
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The IUPAC name of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine (CID 123891055) is 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The canonical SMILES for 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine is Cc1nc(-c2cncc(F)c2)sc1-c1nc(-c2ncccn2)cc2sccc12.
What is the InChIKey of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The InChIKey is AVROBZGNCVLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5S2/c1-11-18(28-20(25-11)12-7-13(21)10-22-9-12)17-14-3-6-27-16(14)8-15(26-17)19-23-4-2-5-24-19/h2-10H,1H3.
What are the key properties of 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]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 4-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-6-pyrimidin-2-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 123891055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).