1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide

C13H18N4OS — CID 107499201

IUPAC1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H18N4OS/c1-16(6-4-11-3-2-8-19-11)13(18)12-9-17(7-5-14)10-15-12/h2-3,8-10H,4-7,14H2,1H3
InChIKeyIWKPYHZQJDEHPI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.22
Rot. Bonds6

About 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide (PubChem CID 107499201) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
PubChem CID107499201
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
SMILESCN(CCc1cccs1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H18N4OS/c1-16(6-4-11-3-2-8-19-11)13(18)12-9-17(7-5-14)10-15-12/h2-3,8-10H,4-7,14H2,1H3
InChIKeyIWKPYHZQJDEHPI-UHFFFAOYSA-N
XLogP1.22
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
CID 107496849
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 79476461
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
N-methyl-5-(methylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107376172
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide (CID 107499201) is 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide is CN(CCc1cccs1)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide?
The InChIKey is IWKPYHZQJDEHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(6-4-11-3-2-8-19-11)13(18)12-9-17(7-5-14)10-15-12/h2-3,8-10H,4-7,14H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).