4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole

C13H12N4S — CID 54670828

IUPAC4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1ccnn1
InChIInChI=1S/C13H12N4S/c1-10-13(18-9-14-10)12(17-8-7-15-16-17)11-5-3-2-4-6-11/h2-9,12H,1H3
InChIKeySBSDBRZSVWGFOM-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.68
Rot. Bonds3

About 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole

4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole (PubChem CID 54670828) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole
PubChem CID54670828
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1ccnn1
InChIInChI=1S/C13H12N4S/c1-10-13(18-9-14-10)12(17-8-7-15-16-17)11-5-3-2-4-6-11/h2-9,12H,1H3
InChIKeySBSDBRZSVWGFOM-UHFFFAOYSA-N
XLogP2.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole (CID 54670828) is 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1ccnn1.
What is the InChIKey of 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is SBSDBRZSVWGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-10-13(18-9-14-10)12(17-8-7-15-16-17)11-5-3-2-4-6-11/h2-9,12H,1H3.
What are the key properties of 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 54670828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).