3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H19ClN4OS — CID 603425

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1
InChIInChI=1S/C16H19ClN4OS/c17-13-1-3-14(4-2-13)21-10-8-20(9-11-21)7-5-15(22)19-16-18-6-12-23-16/h1-4,6,12H,5,7-11H2,(H,18,19,22)
InChIKeyGNGWQVDOLRTWEC-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.95
Rot. Bonds5

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 603425) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID603425
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1
InChIInChI=1S/C16H19ClN4OS/c17-13-1-3-14(4-2-13)21-10-8-20(9-11-21)7-5-15(22)19-16-18-6-12-23-16/h1-4,6,12H,5,7-11H2,(H,18,19,22)
InChIKeyGNGWQVDOLRTWEC-UHFFFAOYSA-N
XLogP2.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 603425) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GNGWQVDOLRTWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c17-13-1-3-14(4-2-13)21-10-8-20(9-11-21)7-5-15(22)19-16-18-6-12-23-16/h1-4,6,12H,5,7-11H2,(H,18,19,22).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 350.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 603425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).