1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone

C18H23ClN4OS — CID 110386745

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCN(C)Cc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C18H23ClN4OS/c1-21(2)12-17-20-15(13-25-17)11-18(24)23-8-6-22(7-9-23)16-5-3-4-14(19)10-16/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyUSWVOSFXCYHLAR-UHFFFAOYSA-N
MW378.93 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 110386745) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID110386745
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCN(C)Cc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1
InChIInChI=1S/C18H23ClN4OS/c1-21(2)12-17-20-15(13-25-17)11-18(24)23-8-6-22(7-9-23)16-5-3-4-14(19)10-16/h3-5,10,13H,6-9,11-12H2,1-2H3
InChIKeyUSWVOSFXCYHLAR-UHFFFAOYSA-N
XLogP2.75
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110374714
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 39348799
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110451007
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 30941964
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41160022
1-(4-benzylpiperidin-1-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
CID 110386760
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 27546008
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone (CID 110386745) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone is CN(C)Cc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is USWVOSFXCYHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-21(2)12-17-20-15(13-25-17)11-18(24)23-8-6-22(7-9-23)16-5-3-4-14(19)10-16/h3-5,10,13H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 378.93 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 110386745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).