2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole

C9H15N3S — CID 64926538

IUPAC2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2nccs2)CCN1
InChIInChI=1S/C9H15N3S/c1-8-6-12(4-2-10-8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyOISOWCVOCXYXIZ-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.94
Rot. Bonds2

About 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole

2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64926538) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64926538
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2nccs2)CCN1
InChIInChI=1S/C9H15N3S/c1-8-6-12(4-2-10-8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyOISOWCVOCXYXIZ-UHFFFAOYSA-N
XLogP0.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64926538) is 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2nccs2)CCN1.
What is the InChIKey of 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is OISOWCVOCXYXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-6-12(4-2-10-8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64926538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).