2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

C15H25N5S — CID 63024495

IUPAC2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN(C)Cc2nccn2C)cs1
InChIInChI=1S/C15H25N5S/c1-12(2)7-16-8-15-18-13(11-21-15)9-19(3)10-14-17-5-6-20(14)4/h5-6,11-12,16H,7-10H2,1-4H3
InChIKeyKWVKDYJPKPRCLU-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.25
Rot. Bonds8

About 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 63024495) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID63024495
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CN(C)Cc2nccn2C)cs1
InChIInChI=1S/C15H25N5S/c1-12(2)7-16-8-15-18-13(11-21-15)9-19(3)10-14-17-5-6-20(14)4/h5-6,11-12,16H,7-10H2,1-4H3
InChIKeyKWVKDYJPKPRCLU-UHFFFAOYSA-N
XLogP2.25
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-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-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63208924
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]aniline
CID 62439248
2-methyl-N-[[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63865087
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62447940
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107402089
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 63024495) is 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nc(CN(C)Cc2nccn2C)cs1.
What is the InChIKey of 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is KWVKDYJPKPRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-12(2)7-16-8-15-18-13(11-21-15)9-19(3)10-14-17-5-6-20(14)4/h5-6,11-12,16H,7-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 307.47 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63024495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).