4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole

C9H15N3S — CID 19915765

IUPAC4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1nc(N2CCNCC2)sc1C
InChIInChI=1S/C9H15N3S/c1-7-8(2)13-9(11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
InChIKeyXFKCBYOBDPYRRI-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.17
Rot. Bonds1

About 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole

4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole (PubChem CID 19915765) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole
PubChem CID19915765
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1nc(N2CCNCC2)sc1C
InChIInChI=1S/C9H15N3S/c1-7-8(2)13-9(11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
InChIKeyXFKCBYOBDPYRRI-UHFFFAOYSA-N
XLogP1.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole (CID 19915765) is 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole is Cc1nc(N2CCNCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is XFKCBYOBDPYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-8(2)13-9(11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole?
4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 19915765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).