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

C11H16N4S — CID 106718437

IUPAC1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(C)c(C)s2)cn1
InChIInChI=1S/C11H16N4S/c1-8-9(2)16-11(14-8)6-15-5-10(4-12-3)13-7-15/h5,7,12H,4,6H2,1-3H3
InChIKeyWSJNZUGBIQMYDW-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.72
Rot. Bonds4

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

1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718437) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID106718437
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(C)c(C)s2)cn1
InChIInChI=1S/C11H16N4S/c1-8-9(2)16-11(14-8)6-15-5-10(4-12-3)13-7-15/h5,7,12H,4,6H2,1-3H3
InChIKeyWSJNZUGBIQMYDW-UHFFFAOYSA-N
XLogP1.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718078
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106718699
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 79025549
2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
CID 106718552
1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718518
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718324
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718245

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 106718437) is 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2nc(C)c(C)s2)cn1.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is WSJNZUGBIQMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8-9(2)16-11(14-8)6-15-5-10(4-12-3)13-7-15/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).