5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile

C13H8N4S2 — CID 115490541

IUPAC5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nc3ccc(N)cc3s2)cn1
InChIInChI=1S/C13H8N4S2/c14-6-9-2-3-10(7-16-9)18-13-17-11-4-1-8(15)5-12(11)19-13/h1-5,7H,15H2
InChIKeyVYANSXZEWABVPY-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.30
Rot. Bonds2

About 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile

5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 115490541) has the molecular formula C13H8N4S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID115490541
Molecular FormulaC13H8N4S2
Molecular Weight284.37 g/mol
Exact Mass284.02
IUPAC Name5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nc3ccc(N)cc3s2)cn1
InChIInChI=1S/C13H8N4S2/c14-6-9-2-3-10(7-16-9)18-13-17-11-4-1-8(15)5-12(11)19-13/h1-5,7H,15H2
InChIKeyVYANSXZEWABVPY-UHFFFAOYSA-N
XLogP3.30
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylsulfonylphenyl)sulfanyl-1,3-benzothiazol-6-amine
CID 63237947
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-4-chlorobenzonitrile
CID 63081948
4-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-2-bromo-3-fluorobenzonitrile
CID 107539612
4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]benzonitrile
CID 54540083
2-pyrimidin-4-ylsulfanyl-1,3-benzothiazol-6-amine
CID 61371413
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzothiazol-6-amine
CID 63229248
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile
CID 61359229
5-(3,4-difluorophenyl)sulfanylpyridine-2-carbonitrile
CID 115489947
2-[(6-ethoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
CID 63589198
2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-benzothiazol-6-amine
CID 63589197
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
CID 106922375
2-butylsulfanyl-1,3-benzothiazol-6-amine
CID 3101507

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile (CID 115490541) is 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile is N#Cc1ccc(Sc2nc3ccc(N)cc3s2)cn1.
What is the InChIKey of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is VYANSXZEWABVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S2/c14-6-9-2-3-10(7-16-9)18-13-17-11-4-1-8(15)5-12(11)19-13/h1-5,7H,15H2.
What are the key properties of 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115490541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).