2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole

C13H23N3S — CID 116969147

IUPAC2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCC2CN(C)CCN2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyLGKQPGVDDSHPKX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole

2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 116969147) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
PubChem CID116969147
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CCC2CN(C)CCN2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyLGKQPGVDDSHPKX-UHFFFAOYSA-N
XLogP2.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole (CID 116969147) is 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CCC2CN(C)CCN2)n1.
What is the InChIKey of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is LGKQPGVDDSHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)12-9-17-13(15-12)5-4-11-8-16(3)7-6-14-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole?
2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).