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

C14H19N3S — CID 173148162

IUPAC2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole
SMILESCN1CCN(C2(c3ccccc3)NC=CS2)CC1
InChIInChI=1S/C14H19N3S/c1-16-8-10-17(11-9-16)14(15-7-12-18-14)13-5-3-2-4-6-13/h2-7,12,15H,8-11H2,1H3
InChIKeyKHKSUERSHZAGQU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.85
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole (PubChem CID 173148162) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole
PubChem CID173148162
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole
SMILESCN1CCN(C2(c3ccccc3)NC=CS2)CC1
InChIInChI=1S/C14H19N3S/c1-16-8-10-17(11-9-16)14(15-7-12-18-14)13-5-3-2-4-6-13/h2-7,12,15H,8-11H2,1H3
InChIKeyKHKSUERSHZAGQU-UHFFFAOYSA-N
XLogP1.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-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 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole (CID 173148162) is 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole is CN1CCN(C2(c3ccccc3)NC=CS2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole?
The InChIKey is KHKSUERSHZAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-16-8-10-17(11-9-16)14(15-7-12-18-14)13-5-3-2-4-6-13/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole?
2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole has a molecular weight of 261.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-phenyl-3H-1,3-thiazole is sourced from PubChem (CID 173148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).