methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate

C12H16N4O2S — CID 80576669

IUPACmethyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H16N4O2S/c1-15-5-4-13-10(15)7-16(2)12-14-9(8-19-12)6-11(17)18-3/h4-5,8H,6-7H2,1-3H3
InChIKeyQZPGXFAASUMOJR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.23
Rot. Bonds5

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

methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576669) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID80576669
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Namemethyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H16N4O2S/c1-15-5-4-13-10(15)7-16(2)12-14-9(8-19-12)6-11(17)18-3/h4-5,8H,6-7H2,1-3H3
InChIKeyQZPGXFAASUMOJR-UHFFFAOYSA-N
XLogP1.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate 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

N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 114275837
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133431912
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576618
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
methyl 2-[2-[bis(cyanomethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575367
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
methyl 2-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574854
(2S)-4-methoxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 63305347
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63026382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate (CID 80576669) is methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(C)Cc2nccn2C)n1.
What is the InChIKey of methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QZPGXFAASUMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-5-4-13-10(15)7-16(2)12-14-9(8-19-12)6-11(17)18-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 280.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).