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

C13H21N5S — CID 79393591

IUPAC5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)Cc2nccn2C)sc1CN
InChIInChI=1S/C13H21N5S/c1-9(2)12-10(7-14)19-13(16-12)18(4)8-11-15-5-6-17(11)3/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRWHDTKQFWBXMMO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.10
Rot. Bonds5

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

5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79393591) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79393591
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N(C)Cc2nccn2C)sc1CN
InChIInChI=1S/C13H21N5S/c1-9(2)12-10(7-14)19-13(16-12)18(4)8-11-15-5-6-17(11)3/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRWHDTKQFWBXMMO-UHFFFAOYSA-N
XLogP2.10
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391
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-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63025897
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
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 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 79393591) is 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N(C)Cc2nccn2C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is RWHDTKQFWBXMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9(2)12-10(7-14)19-13(16-12)18(4)8-11-15-5-6-17(11)3/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79393591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).