4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

C13H23N3S — CID 51086499

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C13H23N3S/c1-4-15-5-7-16(8-6-15)9-12-10-17-13(14-12)11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJVRZNTTZWNQZEV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.40
Rot. Bonds4

About 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 51086499) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID51086499
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCCN1CCN(Cc2csc(C(C)C)n2)CC1
InChIInChI=1S/C13H23N3S/c1-4-15-5-7-16(8-6-15)9-12-10-17-13(14-12)11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyJVRZNTTZWNQZEV-UHFFFAOYSA-N
XLogP2.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (CID 51086499) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is CCN1CCN(Cc2csc(C(C)C)n2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is JVRZNTTZWNQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-15-5-7-16(8-6-15)9-12-10-17-13(14-12)11(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 51086499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).