[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C11H17N3O2S — CID 82439865

IUPAC[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCOCc1nc(C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-8-13-9(7-16-2)10(17-8)11(15)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3
InChIKeyHOLYKOLJZIYJOJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.64
Rot. Bonds3

About [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 82439865) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID82439865
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCOCc1nc(C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-8-13-9(7-16-2)10(17-8)11(15)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3
InChIKeyHOLYKOLJZIYJOJ-UHFFFAOYSA-N
XLogP0.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 82439865) is [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is COCc1nc(C)sc1C(=O)N1CCNCC1.
What is the InChIKey of [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is HOLYKOLJZIYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-13-9(7-16-2)10(17-8)11(15)14-5-3-12-4-6-14/h12H,3-7H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 255.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82439865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).