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

C8H7N3S — CID 68629943

IUPAC2-methyl-4-pyrimidin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ncccn2)cs1
InChIInChI=1S/C8H7N3S/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeySGITWGFDAQURRN-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

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

2-methyl-4-pyrimidin-2-yl-1,3-thiazole (PubChem CID 68629943) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-methyl-4-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-pyrimidin-2-yl-1,3-thiazole
PubChem CID68629943
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name2-methyl-4-pyrimidin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ncccn2)cs1
InChIInChI=1S/C8H7N3S/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeySGITWGFDAQURRN-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 2-methyl-4-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 2-methyl-4-pyrimidin-2-yl-1,3-thiazole (CID 68629943) is 2-methyl-4-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-pyrimidin-2-yl-1,3-thiazole is Cc1nc(-c2ncccn2)cs1.
What is the InChIKey of 2-methyl-4-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is SGITWGFDAQURRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3.
What are the key properties of 2-methyl-4-pyrimidin-2-yl-1,3-thiazole?
2-methyl-4-pyrimidin-2-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 2-methyl-4-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 68629943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).