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

C13H20N6S — CID 51087028

IUPAC2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnc(C)n3C)CC2)n1
InChIInChI=1S/C13H20N6S/c1-10-9-20-13(14-10)19-6-4-18(5-7-19)8-12-16-15-11(2)17(12)3/h9H,4-8H2,1-3H3
InChIKeyAKNOQIDSRYUKGH-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.21
Rot. Bonds3

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

2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 51087028) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID51087028
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nnc(C)n3C)CC2)n1
InChIInChI=1S/C13H20N6S/c1-10-9-20-13(14-10)19-6-4-18(5-7-19)8-12-16-15-11(2)17(12)3/h9H,4-8H2,1-3H3
InChIKeyAKNOQIDSRYUKGH-UHFFFAOYSA-N
XLogP1.21
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole (CID 51087028) is 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCN(Cc3nnc(C)n3C)CC2)n1.
What is the InChIKey of 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is AKNOQIDSRYUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-10-9-20-13(14-10)19-6-4-18(5-7-19)8-12-16-15-11(2)17(12)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 51087028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).