5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide

C13H10N4S2 — CID 65474374

IUPAC5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(Nc2ccc3sccc3c2)cn1
InChIInChI=1S/C13H10N4S2/c14-13(18)10-6-16-12(7-15-10)17-9-1-2-11-8(5-9)3-4-19-11/h1-7H,(H2,14,18)(H,16,17)
InChIKeyHJVUJZVBRPCDSR-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.07
Rot. Bonds3

About 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide

5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide (PubChem CID 65474374) has the molecular formula C13H10N4S2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide
PubChem CID65474374
Molecular FormulaC13H10N4S2
Molecular Weight286.39 g/mol
Exact Mass286.03
IUPAC Name5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(Nc2ccc3sccc3c2)cn1
InChIInChI=1S/C13H10N4S2/c14-13(18)10-6-16-12(7-15-10)17-9-1-2-11-8(5-9)3-4-19-11/h1-7H,(H2,14,18)(H,16,17)
InChIKeyHJVUJZVBRPCDSR-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
5-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82868325
N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
CID 66451733
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242
2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437072
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
5-(3-bromo-5-methoxyanilino)pyrazine-2-carbothioamide
CID 82867984
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide?
The IUPAC name of 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide (CID 65474374) is 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide.
What is the SMILES notation for 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide?
The canonical SMILES for 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide is NC(=S)c1cnc(Nc2ccc3sccc3c2)cn1.
What is the InChIKey of 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide?
The InChIKey is HJVUJZVBRPCDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S2/c14-13(18)10-6-16-12(7-15-10)17-9-1-2-11-8(5-9)3-4-19-11/h1-7H,(H2,14,18)(H,16,17).
What are the key properties of 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide?
5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide has a molecular weight of 286.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-5-ylamino)pyrazine-2-carbothioamide is sourced from PubChem (CID 65474374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).