4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

C17H25ClN4OS — CID 4518994

IUPAC4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SMILESS=C(NCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4OS/c18-15-2-1-3-16(14-15)21-6-8-22(9-7-21)17(24)19-4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2,(H,19,24)
InChIKeyANHZFWMMEHONEN-UHFFFAOYSA-N
MW368.93 g/mol
LogP1.67
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide (PubChem CID 4518994) has the molecular formula C17H25ClN4OS and a molecular weight of 368.93 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
PubChem CID4518994
Molecular FormulaC17H25ClN4OS
Molecular Weight368.93 g/mol
Exact Mass368.14
IUPAC Name4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SMILESS=C(NCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4OS/c18-15-2-1-3-16(14-15)21-6-8-22(9-7-21)17(24)19-4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2,(H,19,24)
InChIKeyANHZFWMMEHONEN-UHFFFAOYSA-N
XLogP1.67
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-morpholin-4-ylethyl)-4-[3-(1,2-oxazolidin-2-ylmethyl)phenyl]piperazine-1-carbothioamide
CID 143170295
4-(3-chlorophenyl)-N-ethyl-N'-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 111186955
4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 8627121
4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
4-(3-chlorophenyl)-N-ethyl-N'-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111186811
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
CID 121448939
4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106058
4-(3-chlorophenyl)-N'-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide
CID 111186935
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
CID 119903745
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide (CID 4518994) is 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide is S=C(NCCN1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The InChIKey is ANHZFWMMEHONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4OS/c18-15-2-1-3-16(14-15)21-6-8-22(9-7-21)17(24)19-4-5-20-10-12-23-13-11-20/h1-3,14H,4-13H2,(H,19,24).
What are the key properties of 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide has a molecular weight of 368.93 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 4518994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).