4-methyl-2-pyrimidin-4-yl-1,3-thiazole

C8H7N3S — CID 20719803

IUPAC4-methyl-2-pyrimidin-4-yl-1,3-thiazole
SMILESCc1csc(-c2ccncn2)n1
InChIInChI=1S/C8H7N3S/c1-6-4-12-8(11-6)7-2-3-9-5-10-7/h2-5H,1H3
InChIKeyZLVZQRVEGBKWHM-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

About 4-methyl-2-pyrimidin-4-yl-1,3-thiazole

4-methyl-2-pyrimidin-4-yl-1,3-thiazole (PubChem CID 20719803) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-4-yl-1,3-thiazole
PubChem CID20719803
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name4-methyl-2-pyrimidin-4-yl-1,3-thiazole
SMILESCc1csc(-c2ccncn2)n1
InChIInChI=1S/C8H7N3S/c1-6-4-12-8(11-6)7-2-3-9-5-10-7/h2-5H,1H3
InChIKeyZLVZQRVEGBKWHM-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-4-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyrimidin-4-yl-1,3-thiazole (CID 20719803) is 4-methyl-2-pyrimidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyrimidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyrimidin-4-yl-1,3-thiazole is Cc1csc(-c2ccncn2)n1.
What is the InChIKey of 4-methyl-2-pyrimidin-4-yl-1,3-thiazole?
The InChIKey is ZLVZQRVEGBKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-4-12-8(11-6)7-2-3-9-5-10-7/h2-5H,1H3.
What are the key properties of 4-methyl-2-pyrimidin-4-yl-1,3-thiazole?
4-methyl-2-pyrimidin-4-yl-1,3-thiazole has a molecular weight of 177.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-4-yl-1,3-thiazole is sourced from PubChem (CID 20719803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).