methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate

C11H17N3O2S — CID 103364475

IUPACmethyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2snc(N)c2C)CC1C
InChIInChI=1S/C11H17N3O2S/c1-6-4-14(5-8(6)11(15)16-3)10-7(2)9(12)13-17-10/h6,8H,4-5H2,1-3H3,(H2,12,13)
InChIKeyQFZNFIFRCNXSIM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.28
Rot. Bonds2

About methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate

methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 103364475) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate
PubChem CID103364475
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2snc(N)c2C)CC1C
InChIInChI=1S/C11H17N3O2S/c1-6-4-14(5-8(6)11(15)16-3)10-7(2)9(12)13-17-10/h6,8H,4-5H2,1-3H3,(H2,12,13)
InChIKeyQFZNFIFRCNXSIM-UHFFFAOYSA-N
XLogP1.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-acetyl-3-pyridinyl)-4-methylpyrrolidine-3-carboxylate
CID 83126121
3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103381021
3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383573
5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360525
5-(4-tert-butylpiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360617
methyl 1-(5-cyanopyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 112755154
methyl 1-(2-carbamothioyl-6-methylphenyl)-4-methylpyrrolidine-3-carboxylate
CID 107108447
methyl 1-(1,2,4-benzotriazin-3-yl)-4-methylpyrrolidine-3-carboxylate
CID 103204962
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103365241
methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
CID 115973720

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate (CID 103364475) is methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(c2snc(N)c2C)CC1C.
What is the InChIKey of methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is QFZNFIFRCNXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-4-14(5-8(6)11(15)16-3)10-7(2)9(12)13-17-10/h6,8H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate?
methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 103364475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).