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

C12H17N3O3S — CID 54938697

IUPACmethyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)C2CCN(C)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-15-4-3-8(6-15)11(17)14-12-13-9(7-19-12)5-10(16)18-2/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyAJUSUANEUNUOOY-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.75
Rot. Bonds4

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

methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 54938697) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID54938697
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)C2CCN(C)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-15-4-3-8(6-15)11(17)14-12-13-9(7-19-12)5-10(16)18-2/h7-8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyAJUSUANEUNUOOY-UHFFFAOYSA-N
XLogP0.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
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-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
methyl 2-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575431
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
methyl 2-[2-[(2-cyclohexyloxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 51087089
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 54938697) is methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)C2CCN(C)C2)n1.
What is the InChIKey of methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AJUSUANEUNUOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15-4-3-8(6-15)11(17)14-12-13-9(7-19-12)5-10(16)18-2/h7-8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 283.35 g/mol, XLogP of 0.75, 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-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 54938697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).