4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole

C13H11N5S2 — CID 146149095

IUPAC4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole
SMILESCc1cc(SCc2csnn2)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11N5S2/c1-9-6-12(19-7-10-8-20-18-17-10)16-13(15-9)11-4-2-3-5-14-11/h2-6,8H,7H2,1H3
InChIKeyRYDIQJOAXILOKM-UHFFFAOYSA-N
MW301.40 g/mol
LogP2.99
Rot. Bonds4

About 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole

4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole (PubChem CID 146149095) has the molecular formula C13H11N5S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole
PubChem CID146149095
Molecular FormulaC13H11N5S2
Molecular Weight301.40 g/mol
Exact Mass301.05
IUPAC Name4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole
SMILESCc1cc(SCc2csnn2)nc(-c2ccccn2)n1
InChIInChI=1S/C13H11N5S2/c1-9-6-12(19-7-10-8-20-18-17-10)16-13(15-9)11-4-2-3-5-14-11/h2-6,8H,7H2,1H3
InChIKeyRYDIQJOAXILOKM-UHFFFAOYSA-N
XLogP2.99
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole?
The IUPAC name of 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole (CID 146149095) is 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole.
What is the SMILES notation for 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole?
The canonical SMILES for 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole is Cc1cc(SCc2csnn2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole?
The InChIKey is RYDIQJOAXILOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S2/c1-9-6-12(19-7-10-8-20-18-17-10)16-13(15-9)11-4-2-3-5-14-11/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole?
4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole has a molecular weight of 301.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole is sourced from PubChem (CID 146149095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).