N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine

C11H8N2OS2 — CID 5026590

IUPACN-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine
SMILESc1coc(NSc2nc3ccccc3s2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-5-9-8(4-1)12-11(15-9)16-13-10-6-3-7-14-10/h1-7,13H
InChIKeyQPQDHXDWZIUPRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.01
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine

N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine (PubChem CID 5026590) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine
PubChem CID5026590
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC NameN-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine
SMILESc1coc(NSc2nc3ccccc3s2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-5-9-8(4-1)12-11(15-9)16-13-10-6-3-7-14-10/h1-7,13H
InChIKeyQPQDHXDWZIUPRK-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-amine
CID 175034496
N-(1,3-benzothiazol-2-ylsulfanyl)butan-2-amine
CID 21196958
2-[[4-(1,3-benzothiazol-2-yldisulfanyl)naphthalen-1-yl]disulfanyl]-1,3-benzothiazole
CID 18349403
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine;2-methylpropan-2-amine
CID 88838043
N-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 45077506
N-(1,3-benzothiazol-2-yldisulfanyl)-N-propan-2-ylpropan-2-amine
CID 21441515
3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64613650
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
methyl (Z)-3-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(furan-2-yl)prop-2-enoate
CID 132518588
(2R)-1-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 59439351
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylheptan-2-amine
CID 21196957
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 53211541

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine (CID 5026590) is N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine is c1coc(NSc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine?
The InChIKey is QPQDHXDWZIUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-2-5-9-8(4-1)12-11(15-9)16-13-10-6-3-7-14-10/h1-7,13H.
What are the key properties of N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine?
N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylsulfanyl)furan-2-amine is sourced from PubChem (CID 5026590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).