N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

C10H13N3S — CID 106577983

IUPACN-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCNc1nccn1Cc1sccc1C
InChIInChI=1S/C10H13N3S/c1-8-3-6-14-9(8)7-13-5-4-12-10(13)11-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyLVZLCMBNHDKEJA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine

N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (PubChem CID 106577983) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
PubChem CID106577983
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
SMILESCNc1nccn1Cc1sccc1C
InChIInChI=1S/C10H13N3S/c1-8-3-6-14-9(8)7-13-5-4-12-10(13)11-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyLVZLCMBNHDKEJA-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine (CID 106577983) is N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is CNc1nccn1Cc1sccc1C.
What is the InChIKey of N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
The InChIKey is LVZLCMBNHDKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-3-6-14-9(8)7-13-5-4-12-10(13)11-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine?
N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106577983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).