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

C12H19N3O2S — CID 80574702

IUPACmethyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-15-5-3-9(4-6-15)13-12-14-10(8-18-12)7-11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKFLTYALEFSIQKK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds4

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

methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574702) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574702
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2CCN(C)CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-15-5-3-9(4-6-15)13-12-14-10(8-18-12)7-11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKFLTYALEFSIQKK-UHFFFAOYSA-N
XLogP1.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[(1-methylpiperidin-4-yl)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

4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 54938697
methyl 2-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575431
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
methyl 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576298
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 62962634
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
methyl 2-[2-[(2,6-dioxopiperidin-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80576355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate (CID 80574702) is methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC2CCN(C)CC2)n1.
What is the InChIKey of methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KFLTYALEFSIQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-15-5-3-9(4-6-15)13-12-14-10(8-18-12)7-11(16)17-2/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 269.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).