thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione

C14H16N2S3 — CID 20508986

IUPACthiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione
SMILESS=C(c1cccs1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H16N2S3/c17-14(13-4-2-10-19-13)16-7-5-15(6-8-16)11-12-3-1-9-18-12/h1-4,9-10H,5-8,11H2
InChIKeyVBNFODXARGWMLG-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.30
Rot. Bonds3

About thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione

thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione (PubChem CID 20508986) has the molecular formula C14H16N2S3 and a molecular weight of 308.50 g/mol. Its IUPAC name is thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione.

Molecular Properties

Compound Namethiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione
PubChem CID20508986
Molecular FormulaC14H16N2S3
Molecular Weight308.50 g/mol
Exact Mass308.05
IUPAC Namethiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione
SMILESS=C(c1cccs1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C14H16N2S3/c17-14(13-4-2-10-19-13)16-7-5-15(6-8-16)11-12-3-1-9-18-12/h1-4,9-10H,5-8,11H2
InChIKeyVBNFODXARGWMLG-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Bis((thiophen-2-yl)methyl)amine
CID 252453
1-(Thien-2-ylmethyl)piperazine
CID 566208
4-[[5-(Thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
CID 155558013
Di-2-thenylamine hydrochloride
CID 24212013
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
3,5-Di(2-thienylmethyl)-1,3,5-thiadiazinane-2-thione
CID 334846
Pyrrolidin-1-yl(thiophen-2-yl)methanethione
CID 672352
[ethyl(thiophen-2-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(thiophen-2-ylmethyl)carbamodithioate
CID 168679325
1,3-Dimethyl-2-(2-thienyl)imidazolidine
CID 2797481
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
CID 45261293

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione?
The IUPAC name of thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione (CID 20508986) is thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione.
What is the SMILES notation for thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione?
The canonical SMILES for thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione is S=C(c1cccs1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione?
The InChIKey is VBNFODXARGWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S3/c17-14(13-4-2-10-19-13)16-7-5-15(6-8-16)11-12-3-1-9-18-12/h1-4,9-10H,5-8,11H2.
What are the key properties of thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione?
thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione has a molecular weight of 308.50 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione is sourced from PubChem (CID 20508986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).