6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine

C14H10N4OS — CID 107491370

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
SMILESNc1cc2cn[nH]c2cc1Sc1nc2ccccc2o1
InChIInChI=1S/C14H10N4OS/c15-9-5-8-7-16-18-11(8)6-13(9)20-14-17-10-3-1-2-4-12(10)19-14/h1-7H,15H2,(H,16,18)
InChIKeyDQPVUVKVVVVTSA-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.44
Rot. Bonds2

About 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine

6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine (PubChem CID 107491370) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
PubChem CID107491370
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
SMILESNc1cc2cn[nH]c2cc1Sc1nc2ccccc2o1
InChIInChI=1S/C14H10N4OS/c15-9-5-8-7-16-18-11(8)6-13(9)20-14-17-10-3-1-2-4-12(10)19-14/h1-7H,15H2,(H,16,18)
InChIKeyDQPVUVKVVVVTSA-UHFFFAOYSA-N
XLogP3.44
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(1,3-benzoxazol-2-ylsulfanyl)benzamide
CID 63356630
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136728223
[4-(1,3-benzoxazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657650
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-indazol-5-amine
CID 107491518
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011762
[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
CID 55079140
4-(1,3-benzoxazol-2-ylsulfanyl)-3-chlorobenzenesulfonamide
CID 23501102
3-[1-(1,3-benzoxazol-2-ylsulfanyl)ethyl]aniline
CID 61262396
[2-(1,3-benzoxazol-2-ylsulfanyl)-4-methoxyphenyl]methanamine
CID 81304611
2-(1,3-benzoxazol-2-ylsulfanyl)-5-methylbenzonitrile
CID 107930936

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine (CID 107491370) is 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine is Nc1cc2cn[nH]c2cc1Sc1nc2ccccc2o1.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine?
The InChIKey is DQPVUVKVVVVTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-9-5-8-7-16-18-11(8)6-13(9)20-14-17-10-3-1-2-4-12(10)19-14/h1-7H,15H2,(H,16,18).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine?
6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine has a molecular weight of 282.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine is sourced from PubChem (CID 107491370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).