3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C17H22N4OS — CID 652557

IUPAC3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1
InChIInChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22)
InChIKeyQMEJEWNKCUSGFW-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.29
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 652557) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID652557
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1
InChIInChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22)
InChIKeyQMEJEWNKCUSGFW-UHFFFAOYSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 652557) is 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QMEJEWNKCUSGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 330.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 652557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).