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

C20H13N5S2 — CID 123528425

IUPAC6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cccnc2)sc1-c1cc2sccc2c(-c2ncccn2)n1
InChIInChI=1S/C20H13N5S2/c1-12-18(27-20(24-12)13-4-2-6-21-11-13)15-10-16-14(5-9-26-16)17(25-15)19-22-7-3-8-23-19/h2-11H,1H3
InChIKeyMLBVVLATQBZPID-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.25
Rot. Bonds3

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

6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine (PubChem CID 123528425) has the molecular formula C20H13N5S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine
PubChem CID123528425
Molecular FormulaC20H13N5S2
Molecular Weight387.49 g/mol
Exact Mass387.06
IUPAC Name6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cccnc2)sc1-c1cc2sccc2c(-c2ncccn2)n1
InChIInChI=1S/C20H13N5S2/c1-12-18(27-20(24-12)13-4-2-6-21-11-13)15-10-16-14(5-9-26-16)17(25-15)19-22-7-3-8-23-19/h2-11H,1H3
InChIKeyMLBVVLATQBZPID-UHFFFAOYSA-N
XLogP5.25
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine?
The IUPAC name of 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine (CID 123528425) is 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine?
The canonical SMILES for 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine is Cc1nc(-c2cccnc2)sc1-c1cc2sccc2c(-c2ncccn2)n1.
What is the InChIKey of 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine?
The InChIKey is MLBVVLATQBZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5S2/c1-12-18(27-20(24-12)13-4-2-6-21-11-13)15-10-16-14(5-9-26-16)17(25-15)19-22-7-3-8-23-19/h2-11H,1H3.
What are the key properties of 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine?
6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine has a molecular weight of 387.49 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 123528425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).