5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

C12H21N3S — CID 64953207

IUPAC5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1(C)CN(Cc2scnc2C)CCN1
InChIInChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3
InChIKeySXXJAHMRBJPYLH-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds3

About 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64953207) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64953207
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1(C)CN(Cc2scnc2C)CCN1
InChIInChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3
InChIKeySXXJAHMRBJPYLH-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64953207) is 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is CCC1(C)CN(Cc2scnc2C)CCN1.
What is the InChIKey of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is SXXJAHMRBJPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-12(3)8-15(6-5-14-12)7-11-10(2)13-9-16-11/h9,14H,4-8H2,1-3H3.
What are the key properties of 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64953207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).