4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole

C21H19N5S — CID 58416007

IUPAC4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCCCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1
InChIInChI=1S/C21H19N5S/c1-3-6-16-8-4-9-18(25-16)20-23-12-10-17(26-20)19-14(2)24-21(27-19)15-7-5-11-22-13-15/h4-5,7-13H,3,6H2,1-2H3
InChIKeyGOCQWCJOQNLRRB-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.99
Rot. Bonds5

About 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole

4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416007) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416007
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC Name4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCCCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1
InChIInChI=1S/C21H19N5S/c1-3-6-16-8-4-9-18(25-16)20-23-12-10-17(26-20)19-14(2)24-21(27-19)15-7-5-11-22-13-15/h4-5,7-13H,3,6H2,1-2H3
InChIKeyGOCQWCJOQNLRRB-UHFFFAOYSA-N
XLogP4.99
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole (CID 58416007) is 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole is CCCc1cccc(-c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1.
What is the InChIKey of 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is GOCQWCJOQNLRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-3-6-16-8-4-9-18(25-16)20-23-12-10-17(26-20)19-14(2)24-21(27-19)15-7-5-11-22-13-15/h4-5,7-13H,3,6H2,1-2H3.
What are the key properties of 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole?
4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 373.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(6-propyl-2-pyridinyl)pyrimidin-4-yl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).