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

C13H20N4S — CID 66150721

IUPAC2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(Cn2cncc2CNC(C)(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10-15-7-12(18-10)8-17-9-14-5-11(17)6-16-13(2,3)4/h5,7,9,16H,6,8H2,1-4H3
InChIKeyFYFRSTXOEUMHSC-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.58
Rot. Bonds4

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

2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150721) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150721
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(Cn2cncc2CNC(C)(C)C)s1
InChIInChI=1S/C13H20N4S/c1-10-15-7-12(18-10)8-17-9-14-5-11(17)6-16-13(2,3)4/h5,7,9,16H,6,8H2,1-4H3
InChIKeyFYFRSTXOEUMHSC-UHFFFAOYSA-N
XLogP2.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150379
2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447009
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402917
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
2,3-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butan-2-ol
CID 103993428
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66150721) is 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(Cn2cncc2CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is FYFRSTXOEUMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10-15-7-12(18-10)8-17-9-14-5-11(17)6-16-13(2,3)4/h5,7,9,16H,6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).