N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine

C13H20N4S — CID 56714307

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1ccnc1
InChIInChI=1S/C13H20N4S/c1-4-12-13(18-11(3)16-12)7-15-10(2)8-17-6-5-14-9-17/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyAJMLQERPUDIZQJ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.39
Rot. Bonds6

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 56714307) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID56714307
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1ccnc1
InChIInChI=1S/C13H20N4S/c1-4-12-13(18-11(3)16-12)7-15-10(2)8-17-6-5-14-9-17/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyAJMLQERPUDIZQJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 62741188
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
1-imidazol-1-yl-N-(quinoxalin-2-ylmethyl)propan-2-amine
CID 43791950
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103246721
1-imidazol-1-yl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82893599
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 56714307) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine is CCc1nc(C)sc1CNC(C)Cn1ccnc1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is AJMLQERPUDIZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-12-13(18-11(3)16-12)7-15-10(2)8-17-6-5-14-9-17/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 56714307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).