1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine

C11H15N3S — CID 62133640

IUPAC1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
SMILESCc1ccc(C(C)Nc2nccn2C)s1
InChIInChI=1S/C11H15N3S/c1-8-4-5-10(15-8)9(2)13-11-12-6-7-14(11)3/h4-7,9H,1-3H3,(H,12,13)
InChIKeyYHNLUZJQNWIQQK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.96
Rot. Bonds3

About 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine

1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine (PubChem CID 62133640) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
PubChem CID62133640
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
SMILESCc1ccc(C(C)Nc2nccn2C)s1
InChIInChI=1S/C11H15N3S/c1-8-4-5-10(15-8)9(2)13-11-12-6-7-14(11)3/h4-7,9H,1-3H3,(H,12,13)
InChIKeyYHNLUZJQNWIQQK-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine (CID 62133640) is 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine is Cc1ccc(C(C)Nc2nccn2C)s1.
What is the InChIKey of 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The InChIKey is YHNLUZJQNWIQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-4-5-10(15-8)9(2)13-11-12-6-7-14(11)3/h4-7,9H,1-3H3,(H,12,13).
What are the key properties of 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 62133640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).