2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

C13H20N4S — CID 66151221

IUPAC2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1nccs1
InChIInChI=1S/C13H20N4S/c1-10(2)6-14-7-12-8-15-9-17(12)11(3)13-16-4-5-18-13/h4-5,8-11,14H,6-7H2,1-3H3
InChIKeyOUFVXZSOQBGVBG-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.69
Rot. Bonds6

About 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66151221) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID66151221
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1nccs1
InChIInChI=1S/C13H20N4S/c1-10(2)6-14-7-12-8-15-9-17(12)11(3)13-16-4-5-18-13/h4-5,8-11,14H,6-7H2,1-3H3
InChIKeyOUFVXZSOQBGVBG-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66146733
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66149673
2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66149926
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 66151221) is 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1C(C)c1nccs1.
What is the InChIKey of 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is OUFVXZSOQBGVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(2)6-14-7-12-8-15-9-17(12)11(3)13-16-4-5-18-13/h4-5,8-11,14H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66151221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).