5-methyl-1,3-thiazole;1,3-thiazole

C7H8N2S2 — CID 161351988

IUPAC5-methyl-1,3-thiazole;1,3-thiazole
SMILESCc1cncs1.c1cscn1
InChIInChI=1S/C4H5NS.C3H3NS/c1-4-2-5-3-6-4;1-2-5-3-4-1/h2-3H,1H3;1-3H
InChIKeyVOAUNQZQJMGYJZ-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.59
Rot. Bonds

About 5-methyl-1,3-thiazole;1,3-thiazole

5-methyl-1,3-thiazole;1,3-thiazole (PubChem CID 161351988) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is 5-methyl-1,3-thiazole;1,3-thiazole.

Molecular Properties

Compound Name5-methyl-1,3-thiazole;1,3-thiazole
PubChem CID161351988
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC Name5-methyl-1,3-thiazole;1,3-thiazole
SMILESCc1cncs1.c1cscn1
InChIInChI=1S/C4H5NS.C3H3NS/c1-4-2-5-3-6-4;1-2-5-3-4-1/h2-3H,1H3;1-3H
InChIKeyVOAUNQZQJMGYJZ-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazole;1,3-thiazole?
The IUPAC name of 5-methyl-1,3-thiazole;1,3-thiazole (CID 161351988) is 5-methyl-1,3-thiazole;1,3-thiazole.
What is the SMILES notation for 5-methyl-1,3-thiazole;1,3-thiazole?
The canonical SMILES for 5-methyl-1,3-thiazole;1,3-thiazole is Cc1cncs1.c1cscn1.
What is the InChIKey of 5-methyl-1,3-thiazole;1,3-thiazole?
The InChIKey is VOAUNQZQJMGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.C3H3NS/c1-4-2-5-3-6-4;1-2-5-3-4-1/h2-3H,1H3;1-3H.
What are the key properties of 5-methyl-1,3-thiazole;1,3-thiazole?
5-methyl-1,3-thiazole;1,3-thiazole has a molecular weight of 184.29 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-thiazole;1,3-thiazole is sourced from PubChem (CID 161351988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).