5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole

C19H27N3S — CID 141180852

IUPAC5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccccc2)c(CCN2CCN(C)CC2)s1
InChIInChI=1S/C19H27N3S/c1-15(2)19-20-18(16-7-5-4-6-8-16)17(23-19)9-10-22-13-11-21(3)12-14-22/h4-8,15H,9-14H2,1-3H3
InChIKeyJAJSWSYCWBIOQR-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.72
Rot. Bonds5

About 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole

5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole (PubChem CID 141180852) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
PubChem CID141180852
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(-c2ccccc2)c(CCN2CCN(C)CC2)s1
InChIInChI=1S/C19H27N3S/c1-15(2)19-20-18(16-7-5-4-6-8-16)17(23-19)9-10-22-13-11-21(3)12-14-22/h4-8,15H,9-14H2,1-3H3
InChIKeyJAJSWSYCWBIOQR-UHFFFAOYSA-N
XLogP3.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole (CID 141180852) is 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(-c2ccccc2)c(CCN2CCN(C)CC2)s1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is JAJSWSYCWBIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-15(2)19-20-18(16-7-5-4-6-8-16)17(23-19)9-10-22-13-11-21(3)12-14-22/h4-8,15H,9-14H2,1-3H3.
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole?
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 329.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 141180852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).