N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine

C19H22N4S — CID 71918508

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H22N4S/c1-14(16-6-3-7-17(10-16)23-9-8-20-13-23)21-11-18-12-22-19(24-18)15-4-2-5-15/h3,6-10,12-15,21H,2,4-5,11H2,1H3
InChIKeyMWRLYAKNPBZBAN-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.45
Rot. Bonds6

About N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine (PubChem CID 71918508) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
PubChem CID71918508
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C19H22N4S/c1-14(16-6-3-7-17(10-16)23-9-8-20-13-23)21-11-18-12-22-19(24-18)15-4-2-5-15/h3,6-10,12-15,21H,2,4-5,11H2,1H3
InChIKeyMWRLYAKNPBZBAN-UHFFFAOYSA-N
XLogP4.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine (CID 71918508) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine is CC(NCc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The InChIKey is MWRLYAKNPBZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-14(16-6-3-7-17(10-16)23-9-8-20-13-23)21-11-18-12-22-19(24-18)15-4-2-5-15/h3,6-10,12-15,21H,2,4-5,11H2,1H3.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine has a molecular weight of 338.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 71918508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).