5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole

C9H12N4OS — CID 115393667

IUPAC5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCOCCn1cnnc1-c1scnc1C
InChIInChI=1S/C9H12N4OS/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyBIYBIVMMSBYWAC-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.36
Rot. Bonds4

About 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole

5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (PubChem CID 115393667) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
PubChem CID115393667
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCOCCn1cnnc1-c1scnc1C
InChIInChI=1S/C9H12N4OS/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyBIYBIVMMSBYWAC-UHFFFAOYSA-N
XLogP1.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (CID 115393667) is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is COCCn1cnnc1-c1scnc1C.
What is the InChIKey of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is BIYBIVMMSBYWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7-8(15-6-10-7)9-12-11-5-13(9)3-4-14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 224.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 115393667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).