4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine

C11H10N4OS — CID 55011762

IUPAC4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2nc3ccccc3o2)c(N)[nH]1
InChIInChI=1S/C11H10N4OS/c1-6-13-9(12)10(14-6)17-11-15-7-4-2-3-5-8(7)16-11/h2-5H,12H2,1H3,(H,13,14)
InChIKeySOTFZKGREZNUQJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.59
Rot. Bonds2

About 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine

4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine (PubChem CID 55011762) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
PubChem CID55011762
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2nc3ccccc3o2)c(N)[nH]1
InChIInChI=1S/C11H10N4OS/c1-6-13-9(12)10(14-6)17-11-15-7-4-2-3-5-8(7)16-11/h2-5H,12H2,1H3,(H,13,14)
InChIKeySOTFZKGREZNUQJ-UHFFFAOYSA-N
XLogP2.59
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176
6-(1,3-benzoxazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
CID 3564117
2-(1,3-benzoxazol-2-ylsulfanyl)-5-methylbenzonitrile
CID 107930936
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 62483848
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 80971341
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methyl-1H-pyrimidin-6-one
CID 114585563
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
2-(5-bromo-6-chloropyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 114071815
6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indazol-5-amine
CID 107491370

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The IUPAC name of 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine (CID 55011762) is 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine is Cc1nc(Sc2nc3ccccc3o2)c(N)[nH]1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The InChIKey is SOTFZKGREZNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-6-13-9(12)10(14-6)17-11-15-7-4-2-3-5-8(7)16-11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine has a molecular weight of 246.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine is sourced from PubChem (CID 55011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).