methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride

C11H18ClN3O2S — CID 120905407

IUPACmethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(Cc2cnc(N)s2)C1C.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-7-9(10(15)16-2)3-4-14(7)6-8-5-13-11(12)17-8;/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13);1H
InChIKeyNCBZJOBYVNUDEN-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.53
Rot. Bonds3

About methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride

methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 120905407) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID120905407
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(Cc2cnc(N)s2)C1C.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-7-9(10(15)16-2)3-4-14(7)6-8-5-13-11(12)17-8;/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13);1H
InChIKeyNCBZJOBYVNUDEN-UHFFFAOYSA-N
XLogP1.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 120901350
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclooctane-1-carboxylate
CID 120904774
methyl (2S,5S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-phenylpyrrolidine-2-carboxylate;hydrochloride
CID 120904905
methyl 4-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]benzoate
CID 120899411
methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
CID 126995651
methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
CID 120857753
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride
CID 120905160

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride (CID 120905407) is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1CCN(Cc2cnc(N)s2)C1C.Cl.
What is the InChIKey of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is NCBZJOBYVNUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-7-9(10(15)16-2)3-4-14(7)6-8-5-13-11(12)17-8;/h5,7,9H,3-4,6H2,1-2H3,(H2,12,13);1H.
What are the key properties of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride?
methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 120905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).