3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C17H23ClN4S — CID 119125309

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESClc1cccc(N2CCN(CCCNCc3cscn3)CC2)c1
InChIInChI=1S/C17H23ClN4S/c18-15-3-1-4-17(11-15)22-9-7-21(8-10-22)6-2-5-19-12-16-13-23-14-20-16/h1,3-4,11,13-14,19H,2,5-10,12H2
InChIKeyDLHJZNBSRMWHBJ-UHFFFAOYSA-N
MW350.92 g/mol
LogP3.10
Rot. Bonds7

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 119125309) has the molecular formula C17H23ClN4S and a molecular weight of 350.92 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID119125309
Molecular FormulaC17H23ClN4S
Molecular Weight350.92 g/mol
Exact Mass350.13
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESClc1cccc(N2CCN(CCCNCc3cscn3)CC2)c1
InChIInChI=1S/C17H23ClN4S/c18-15-3-1-4-17(11-15)22-9-7-21(8-10-22)6-2-5-19-12-16-13-23-14-20-16/h1,3-4,11,13-14,19H,2,5-10,12H2
InChIKeyDLHJZNBSRMWHBJ-UHFFFAOYSA-N
XLogP3.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 119126175
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 142679836
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
CID 118259497

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 119125309) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is Clc1cccc(N2CCN(CCCNCc3cscn3)CC2)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is DLHJZNBSRMWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4S/c18-15-3-1-4-17(11-15)22-9-7-21(8-10-22)6-2-5-19-12-16-13-23-14-20-16/h1,3-4,11,13-14,19H,2,5-10,12H2.
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 350.92 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 119125309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).