N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide

C13H17N3O2S — CID 91771900

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H17N3O2S/c1-10-3-4-12(19-10)13(17)15-8-11-7-14-9-16(11)5-6-18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDOMSQYNETNTDSY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.83
Rot. Bonds6

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 91771900) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID91771900
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H17N3O2S/c1-10-3-4-12(19-10)13(17)15-8-11-7-14-9-16(11)5-6-18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDOMSQYNETNTDSY-UHFFFAOYSA-N
XLogP1.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide (CID 91771900) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide is COCCn1cncc1CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DOMSQYNETNTDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-3-4-12(19-10)13(17)15-8-11-7-14-9-16(11)5-6-18-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 91771900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).