4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide

C16H19N3S — CID 19653802

IUPAC4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N3S/c1-18-9-11-19(12-10-18)16(20)17-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeySTAJFNBDEVTFCO-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.78
Rot. Bonds1

About 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide

4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide (PubChem CID 19653802) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
PubChem CID19653802
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C16H19N3S/c1-18-9-11-19(12-10-18)16(20)17-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeySTAJFNBDEVTFCO-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.78
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-benzoyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 25098148
4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 43384653
N-(2-chlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 23818759
N-naphthalen-1-yl-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide
CID 19293421
3-methyl-4-(4-methylphenyl)-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 19655324
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-naphthalen-1-yl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)piperidine-1-carbothioamide
CID 162666844
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
N-naphthalen-1-yl-2-phenylimino-1,3-thiazolidine-3-carbothioamide
CID 3297227
N-[2,6-di(propan-2-yl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide
CID 71940901
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide (CID 19653802) is 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide is CN1CCN(C(=S)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide?
The InChIKey is STAJFNBDEVTFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-18-9-11-19(12-10-18)16(20)17-15-8-4-6-13-5-2-3-7-14(13)15/h2-8H,9-12H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide?
4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 19653802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).