3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride

C11H17ClN4S — CID 115595862

IUPAC3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(CNCc1cscn1)Cn1ccnc1.Cl
InChIInChI=1S/C11H16N4S.ClH/c1-10(6-15-3-2-12-8-15)4-13-5-11-7-16-9-14-11;/h2-3,7-10,13H,4-6H2,1H3;1H
InChIKeyBHGJHVYOFLYOEY-UHFFFAOYSA-N
MW272.81 g/mol
LogP2.19
Rot. Bonds6

About 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride

3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 115595862) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
PubChem CID115595862
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(CNCc1cscn1)Cn1ccnc1.Cl
InChIInChI=1S/C11H16N4S.ClH/c1-10(6-15-3-2-12-8-15)4-13-5-11-7-16-9-14-11;/h2-3,7-10,13H,4-6H2,1H3;1H
InChIKeyBHGJHVYOFLYOEY-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride 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

3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119125266
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
(2S)-N-[(6-fluoroquinolin-8-yl)methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 97226513
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride (CID 115595862) is 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride is CC(CNCc1cscn1)Cn1ccnc1.Cl.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is BHGJHVYOFLYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S.ClH/c1-10(6-15-3-2-12-8-15)4-13-5-11-7-16-9-14-11;/h2-3,7-10,13H,4-6H2,1H3;1H.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride?
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 272.81 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 115595862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).