4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole

C8H8N2S2 — CID 91270269

IUPAC4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole
SMILESCc1csc(Cc2cncs2)n1
InChIInChI=1S/C8H8N2S2/c1-6-4-11-8(10-6)2-7-3-9-5-12-7/h3-5H,2H2,1H3
InChIKeyUZYBHXGPUIOGPG-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.50
Rot. Bonds2

About 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole

4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole (PubChem CID 91270269) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole
PubChem CID91270269
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole
SMILESCc1csc(Cc2cncs2)n1
InChIInChI=1S/C8H8N2S2/c1-6-4-11-8(10-6)2-7-3-9-5-12-7/h3-5H,2H2,1H3
InChIKeyUZYBHXGPUIOGPG-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole (CID 91270269) is 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole is Cc1csc(Cc2cncs2)n1.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is UZYBHXGPUIOGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-6-4-11-8(10-6)2-7-3-9-5-12-7/h3-5H,2H2,1H3.
What are the key properties of 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole?
4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 196.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 91270269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).