ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride

C14H24ClN3O2S — CID 120857828

IUPACethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(C2CCCN2CC(C)(C)N)n1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-4-19-13(18)10-8-20-12(16-10)11-6-5-7-17(11)9-14(2,3)15;/h8,11H,4-7,9,15H2,1-3H3;1H
InChIKeyPGUIOLZEJPHFRZ-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.62
Rot. Bonds5

About ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride

ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 120857828) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID120857828
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Nameethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1csc(C2CCCN2CC(C)(C)N)n1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-4-19-13(18)10-8-20-12(16-10)11-6-5-7-17(11)9-14(2,3)15;/h8,11H,4-7,9,15H2,1-3H3;1H
InChIKeyPGUIOLZEJPHFRZ-UHFFFAOYSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride 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

ethyl 2-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99834635
ethyl 2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99834633
ethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 120905450
ethyl 2-[(2R)-1-[(2R)-pentan-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124625189
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-[(2S)-1-(2-cyclopentylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795201
ethyl 2-[1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 120857827
ethyl 2-[(2R)-1-[3-(2-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795659
ethyl 2-[(2S)-1-[2-[(1R)-cyclohex-2-en-1-yl]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 100613801
ethyl 2-[(2R)-1-[(1R)-1-pyrazin-2-ylethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 100618726
2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120848647
ethyl 2-[(2S)-1-(5-cyano-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795212

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride (CID 120857828) is ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride is CCOC(=O)c1csc(C2CCCN2CC(C)(C)N)n1.Cl.
What is the InChIKey of ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is PGUIOLZEJPHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-4-19-13(18)10-8-20-12(16-10)11-6-5-7-17(11)9-14(2,3)15;/h8,11H,4-7,9,15H2,1-3H3;1H.
What are the key properties of ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride?
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 120857828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).