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

C13H15N3S — CID 55011812

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2ccc3c(c2)CCC3)c(N)[nH]1
InChIInChI=1S/C13H15N3S/c1-8-15-12(14)13(16-8)17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyBNHVSUVJEXBLFN-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.94
Rot. Bonds2

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

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine (PubChem CID 55011812) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
PubChem CID55011812
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2ccc3c(c2)CCC3)c(N)[nH]1
InChIInChI=1S/C13H15N3S/c1-8-15-12(14)13(16-8)17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyBNHVSUVJEXBLFN-UHFFFAOYSA-N
XLogP2.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334004
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpyrimidin-4-amine
CID 80893063
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80892824
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80893061
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
4-chloro-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867899
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 79883506
6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
CID 82235546

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine (CID 55011812) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine is Cc1nc(Sc2ccc3c(c2)CCC3)c(N)[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
The InChIKey is BNHVSUVJEXBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-15-12(14)13(16-8)17-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-1H-imidazol-5-amine is sourced from PubChem (CID 55011812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).