4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole

C14H11N3OS — CID 57398353

IUPAC4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccnc3)n2)cn1
InChIInChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3
InChIKeySNFIGQBBKZOQSH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.28
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole

4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 57398353) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID57398353
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccnc3)n2)cn1
InChIInChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3
InChIKeySNFIGQBBKZOQSH-UHFFFAOYSA-N
XLogP3.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole (CID 57398353) is 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole is COc1ccc(-c2csc(-c3cccnc3)n2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is SNFIGQBBKZOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole?
4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 269.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 57398353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).