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

C9H15N3S — CID 64932692

IUPAC2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CNCCN1Cc1nccs1
InChIInChI=1S/C9H15N3S/c1-8-6-10-2-4-12(8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyVHXKWGNDBTZVOC-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.94
Rot. Bonds2

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

2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64932692) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64932692
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CNCCN1Cc1nccs1
InChIInChI=1S/C9H15N3S/c1-8-6-10-2-4-12(8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyVHXKWGNDBTZVOC-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-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64932692) is 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CNCCN1Cc1nccs1.
What is the InChIKey of 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is VHXKWGNDBTZVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-6-10-2-4-12(8)7-9-11-3-5-13-9/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of 2-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-[(2-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-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64932692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).