N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine

C12H17N3S — CID 106565436

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC(C)c2cc(C)sc2C)[nH]1
InChIInChI=1S/C12H17N3S/c1-7-6-13-12(14-7)15-9(3)11-5-8(2)16-10(11)4/h5-6,9H,1-4H3,(H2,13,14,15)
InChIKeyVYYIWMCAAMPZPR-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.57
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine (PubChem CID 106565436) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
PubChem CID106565436
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(NC(C)c2cc(C)sc2C)[nH]1
InChIInChI=1S/C12H17N3S/c1-7-6-13-12(14-7)15-9(3)11-5-8(2)16-10(11)4/h5-6,9H,1-4H3,(H2,13,14,15)
InChIKeyVYYIWMCAAMPZPR-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine (CID 106565436) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine is Cc1cnc(NC(C)c2cc(C)sc2C)[nH]1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine?
The InChIKey is VYYIWMCAAMPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-7-6-13-12(14-7)15-9(3)11-5-8(2)16-10(11)4/h5-6,9H,1-4H3,(H2,13,14,15).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 106565436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).