1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide

C26H24N8S2 — CID 91314711

IUPAC1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide
SMILESS=C(N1CCN(C(=S)N(c2ccccn2)c2ccccn2)CC1)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C26H24N8S2/c35-25(33(21-9-1-5-13-27-21)22-10-2-6-14-28-22)31-17-19-32(20-18-31)26(36)34(23-11-3-7-15-29-23)24-12-4-8-16-30-24/h1-16H,17-20H2
InChIKeyCQPGVNMTMLIJFM-UHFFFAOYSA-N
MW512.67 g/mol
LogP4.43
Rot. Bonds4

About 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide

1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide (PubChem CID 91314711) has the molecular formula C26H24N8S2 and a molecular weight of 512.67 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide
PubChem CID91314711
Molecular FormulaC26H24N8S2
Molecular Weight512.67 g/mol
Exact Mass512.16
IUPAC Name1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide
SMILESS=C(N1CCN(C(=S)N(c2ccccn2)c2ccccn2)CC1)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C26H24N8S2/c35-25(33(21-9-1-5-13-27-21)22-10-2-6-14-28-22)31-17-19-32(20-18-31)26(36)34(23-11-3-7-15-29-23)24-12-4-8-16-30-24/h1-16H,17-20H2
InChIKeyCQPGVNMTMLIJFM-UHFFFAOYSA-N
XLogP4.43
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.67
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1,4-Di(2-pyridyl)piperazine
CID 231897
2-(4-Pyridin-2-ylpiperazin-1-yl)pyrazine
CID 2998130
2,4-Dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 5061793
1-Pyridin-2-yl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine
CID 137635389
1-Pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine
CID 57205712
(4-Pyridin-2-ylpiperazine-1-carbothioyl)sulfanyl 4-pyridin-2-ylpiperazine-1-carbodithioate
CID 77847687
1-(2-Pyridyl)-4-[[4-(2-pyridyl)piperazin-1-yl]disulfanyl]piperazine
CID 3009821
6-[2-(dipyridin-2-ylamino)ethyl]-N-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-amine
CID 127050257
N,N-Di(pyridin-2-yl)pyridin-2-amine
CID 300755
Bis(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 108990349

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide (CID 91314711) is 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide is S=C(N1CCN(C(=S)N(c2ccccn2)c2ccccn2)CC1)N(c1ccccn1)c1ccccn1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide?
The InChIKey is CQPGVNMTMLIJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8S2/c35-25(33(21-9-1-5-13-27-21)22-10-2-6-14-28-22)31-17-19-32(20-18-31)26(36)34(23-11-3-7-15-29-23)24-12-4-8-16-30-24/h1-16H,17-20H2.
What are the key properties of 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide?
1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide has a molecular weight of 512.67 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrapyridin-2-ylpiperazine-1,4-dicarbothioamide is sourced from PubChem (CID 91314711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).