N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C12H19N5S — CID 63026391

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2nccn2C)nc1C
InChIInChI=1S/C12H19N5S/c1-9-10(7-13-2)18-12(15-9)17(4)8-11-14-5-6-16(11)3/h5-6,13H,7-8H2,1-4H3
InChIKeyJEBAJCMHNHLXKM-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.54
Rot. Bonds5

About N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 63026391) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID63026391
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)Cc2nccn2C)nc1C
InChIInChI=1S/C12H19N5S/c1-9-10(7-13-2)18-12(15-9)17(4)8-11-14-5-6-16(11)3/h5-6,13H,7-8H2,1-4H3
InChIKeyJEBAJCMHNHLXKM-UHFFFAOYSA-N
XLogP1.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026393
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63915656
5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393591
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63025897
N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 114275837
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133431912

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 63026391) is N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is CNCc1sc(N(C)Cc2nccn2C)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JEBAJCMHNHLXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-9-10(7-13-2)18-12(15-9)17(4)8-11-14-5-6-16(11)3/h5-6,13H,7-8H2,1-4H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63026391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).