4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide

C15H23N3S — CID 43384653

IUPAC4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
SMILESCC(C)c1ccccc1NC(=S)N1CCN(C)CC1
InChIInChI=1S/C15H23N3S/c1-12(2)13-6-4-5-7-14(13)16-15(19)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyCFEARSPMYBWDRI-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide

4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide (PubChem CID 43384653) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
PubChem CID43384653
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
SMILESCC(C)c1ccccc1NC(=S)N1CCN(C)CC1
InChIInChI=1S/C15H23N3S/c1-12(2)13-6-4-5-7-14(13)16-15(19)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyCFEARSPMYBWDRI-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 23877991
N-[2,6-di(propan-2-yl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide
CID 71940901
4-(3-chlorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 23821709
4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 19653802
N-(2-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 23818759
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109104467
1-butan-2-yl-3-(2-propan-2-ylphenyl)thiourea
CID 43384666
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide (CID 43384653) is 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide is CC(C)c1ccccc1NC(=S)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide?
The InChIKey is CFEARSPMYBWDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-12(2)13-6-4-5-7-14(13)16-15(19)18-10-8-17(3)9-11-18/h4-7,12H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide?
4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide has a molecular weight of 277.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 43384653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).