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

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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).