5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine

C19H12N6S2 — CID 123218748

IUPAC5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1cc2ccsc2c(-c2ncccn2)n1
InChIInChI=1S/C19H12N6S2/c1-11-16(27-19(24-11)13-8-20-10-21-9-13)14-7-12-3-6-26-17(12)15(25-14)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyWXNRVJJAXSRNLM-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.64
Rot. Bonds3

About 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine

5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine (PubChem CID 123218748) has the molecular formula C19H12N6S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine
PubChem CID123218748
Molecular FormulaC19H12N6S2
Molecular Weight388.48 g/mol
Exact Mass388.06
IUPAC Name5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1cc2ccsc2c(-c2ncccn2)n1
InChIInChI=1S/C19H12N6S2/c1-11-16(27-19(24-11)13-8-20-10-21-9-13)14-7-12-3-6-26-17(12)15(25-14)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyWXNRVJJAXSRNLM-UHFFFAOYSA-N
XLogP4.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine?
The IUPAC name of 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine (CID 123218748) is 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine?
The canonical SMILES for 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine is Cc1nc(-c2cncnc2)sc1-c1cc2ccsc2c(-c2ncccn2)n1.
What is the InChIKey of 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine?
The InChIKey is WXNRVJJAXSRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6S2/c1-11-16(27-19(24-11)13-8-20-10-21-9-13)14-7-12-3-6-26-17(12)15(25-14)18-22-4-2-5-23-18/h2-10H,1H3.
What are the key properties of 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine?
5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine has a molecular weight of 388.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-7-pyrimidin-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 123218748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).