N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine

C13H19N3S — CID 63990888

IUPACN-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccsc1-c1cnc(CCNC(C)C)[nH]1
InChIInChI=1S/C13H19N3S/c1-9(2)14-6-4-12-15-8-11(16-12)13-10(3)5-7-17-13/h5,7-9,14H,4,6H2,1-3H3,(H,15,16)
InChIKeyQWQBUJPUSQULOX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.99
Rot. Bonds5

About N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 63990888) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID63990888
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccsc1-c1cnc(CCNC(C)C)[nH]1
InChIInChI=1S/C13H19N3S/c1-9(2)14-6-4-12-15-8-11(16-12)13-10(3)5-7-17-13/h5,7-9,14H,4,6H2,1-3H3,(H,15,16)
InChIKeyQWQBUJPUSQULOX-UHFFFAOYSA-N
XLogP2.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
2-(chloromethyl)-5-(3-methylthiophen-2-yl)-1H-imidazole
CID 116878147
3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878655
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854007
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 63990888) is N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine is Cc1ccsc1-c1cnc(CCNC(C)C)[nH]1.
What is the InChIKey of N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is QWQBUJPUSQULOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)14-6-4-12-15-8-11(16-12)13-10(3)5-7-17-13/h5,7-9,14H,4,6H2,1-3H3,(H,15,16).
What are the key properties of N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 63990888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).