methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate

C10H15N3O2S — CID 79771551

IUPACmethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)8-3-2-4-13(8)6-7-5-12-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,12)
InChIKeyXILWXBCPULQLSY-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.86
Rot. Bonds3

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

methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 79771551) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID79771551
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)8-3-2-4-13(8)6-7-5-12-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,12)
InChIKeyXILWXBCPULQLSY-UHFFFAOYSA-N
XLogP0.86
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328496
Methyl 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 76762030
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 94948782
5-[[2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118980287
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130364612
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
CID 43782238
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylpentanoate
CID 43788449
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
Methyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 55219600
1-[(5-Methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61190979
Ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 63020839

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 79771551) is methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cnc(N)s1.
What is the InChIKey of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is XILWXBCPULQLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-9(14)8-3-2-4-13(8)6-7-5-12-10(11)16-7/h5,8H,2-4,6H2,1H3,(H2,11,12).
What are the key properties of methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 0.86, 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]pyrrolidine-2-carboxylate is sourced from PubChem (CID 79771551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).