2-(3-methylimidazol-4-yl)-1,3-thiazole

C7H7N3S — CID 90766714

IUPAC2-(3-methylimidazol-4-yl)-1,3-thiazole
SMILESCn1cncc1-c1nccs1
InChIInChI=1S/C7H7N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h2-5H,1H3
InChIKeyNYXZNFVGEZBNQN-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.54
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-1,3-thiazole

2-(3-methylimidazol-4-yl)-1,3-thiazole (PubChem CID 90766714) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1,3-thiazole
PubChem CID90766714
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(3-methylimidazol-4-yl)-1,3-thiazole
SMILESCn1cncc1-c1nccs1
InChIInChI=1S/C7H7N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h2-5H,1H3
InChIKeyNYXZNFVGEZBNQN-UHFFFAOYSA-N
XLogP1.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-thiazole (CID 90766714) is 2-(3-methylimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1,3-thiazole is Cn1cncc1-c1nccs1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1,3-thiazole?
The InChIKey is NYXZNFVGEZBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-10-5-8-4-6(10)7-9-2-3-11-7/h2-5H,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1,3-thiazole?
2-(3-methylimidazol-4-yl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 90766714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).