4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole

C17H23N3S — CID 63342649

IUPAC4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C(C)(C)N3CCNCC3)n2)cc1
InChIInChI=1S/C17H23N3S/c1-13-4-6-14(7-5-13)15-12-21-16(19-15)17(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3
InChIKeySSPXAYJWYVQLJP-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.26
Rot. Bonds3

About 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole

4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole (PubChem CID 63342649) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
PubChem CID63342649
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C(C)(C)N3CCNCC3)n2)cc1
InChIInChI=1S/C17H23N3S/c1-13-4-6-14(7-5-13)15-12-21-16(19-15)17(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3
InChIKeySSPXAYJWYVQLJP-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole (CID 63342649) is 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole is Cc1ccc(-c2csc(C(C)(C)N3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
The InChIKey is SSPXAYJWYVQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-4-6-14(7-5-13)15-12-21-16(19-15)17(2,3)20-10-8-18-9-11-20/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole?
4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 63342649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).