N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine

C12H17N3S — CID 115655102

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CNCc1cnc[nH]1)Cc1cccs1
InChIInChI=1S/C12H17N3S/c1-10(5-12-3-2-4-16-12)6-13-7-11-8-14-9-15-11/h2-4,8-10,13H,5-7H2,1H3,(H,14,15)
InChIKeySHQFFNIIOCNNML-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.44
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115655102) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115655102
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CNCc1cnc[nH]1)Cc1cccs1
InChIInChI=1S/C12H17N3S/c1-10(5-12-3-2-4-16-12)6-13-7-11-8-14-9-15-11/h2-4,8-10,13H,5-7H2,1H3,(H,14,15)
InChIKeySHQFFNIIOCNNML-UHFFFAOYSA-N
XLogP2.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-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

2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol
CID 115641917
1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588712
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993213
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
6-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483564
(2R)-3-(1H-imidazol-5-yl)-2-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 104894182
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115607122
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
5-[(2-methyl-3-thiophen-2-ylpropyl)amino]pyrazine-2-carbonitrile
CID 133484216

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine (CID 115655102) is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine is CC(CNCc1cnc[nH]1)Cc1cccs1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SHQFFNIIOCNNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10(5-12-3-2-4-16-12)6-13-7-11-8-14-9-15-11/h2-4,8-10,13H,5-7H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).