4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

C17H23N3S — CID 64954045

IUPAC4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CCNC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C17H23N3S/c1-13-11-21-16(19-13)14(2)20-10-9-18-17(3,12-20)15-7-5-4-6-8-15/h4-8,11,14,18H,9-10,12H2,1-3H3
InChIKeyZJOXAKKHPXCXQQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.33
Rot. Bonds3

About 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64954045) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64954045
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CCNC(C)(c3ccccc3)C2)n1
InChIInChI=1S/C17H23N3S/c1-13-11-21-16(19-13)14(2)20-10-9-18-17(3,12-20)15-7-5-4-6-8-15/h4-8,11,14,18H,9-10,12H2,1-3H3
InChIKeyZJOXAKKHPXCXQQ-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64954045) is 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is Cc1csc(C(C)N2CCNC(C)(c3ccccc3)C2)n1.
What is the InChIKey of 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ZJOXAKKHPXCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-11-21-16(19-13)14(2)20-10-9-18-17(3,12-20)15-7-5-4-6-8-15/h4-8,11,14,18H,9-10,12H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64954045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).