4-(1-methylpiperazin-2-yl)-1,3-thiazole

C8H13N3S — CID 22931932

IUPAC4-(1-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNCC1c1cscn1
InChIInChI=1S/C8H13N3S/c1-11-3-2-9-4-8(11)7-5-12-6-10-7/h5-6,8-9H,2-4H2,1H3
InChIKeyKXGPWRIUDUBTDG-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.72
Rot. Bonds1

About 4-(1-methylpiperazin-2-yl)-1,3-thiazole

4-(1-methylpiperazin-2-yl)-1,3-thiazole (PubChem CID 22931932) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(1-methylpiperazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylpiperazin-2-yl)-1,3-thiazole
PubChem CID22931932
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(1-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNCC1c1cscn1
InChIInChI=1S/C8H13N3S/c1-11-3-2-9-4-8(11)7-5-12-6-10-7/h5-6,8-9H,2-4H2,1H3
InChIKeyKXGPWRIUDUBTDG-UHFFFAOYSA-N
XLogP0.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1-methylpiperazin-2-yl)-1,3-thiazole (CID 22931932) is 4-(1-methylpiperazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylpiperazin-2-yl)-1,3-thiazole is CN1CCNCC1c1cscn1.
What is the InChIKey of 4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The InChIKey is KXGPWRIUDUBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-3-2-9-4-8(11)7-5-12-6-10-7/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 4-(1-methylpiperazin-2-yl)-1,3-thiazole?
4-(1-methylpiperazin-2-yl)-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 22931932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).