1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C11H16ClF3N4OS — CID 120905204

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(C(=O)NCC(F)(F)F)C2)s1
InChIInChI=1S/C11H15F3N4OS.ClH/c12-11(13,14)6-17-9(19)7-1-2-18(4-7)5-8-3-16-10(15)20-8;/h3,7H,1-2,4-6H2,(H2,15,16)(H,17,19);1H
InChIKeyQDWKJJFXSFBZLM-UHFFFAOYSA-N
MW344.79 g/mol
LogP1.65
Rot. Bonds4

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120905204) has the molecular formula C11H16ClF3N4OS and a molecular weight of 344.79 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120905204
Molecular FormulaC11H16ClF3N4OS
Molecular Weight344.79 g/mol
Exact Mass344.07
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CN2CCC(C(=O)NCC(F)(F)F)C2)s1
InChIInChI=1S/C11H15F3N4OS.ClH/c12-11(13,14)6-17-9(19)7-1-2-18(4-7)5-8-3-16-10(15)20-8;/h3,7H,1-2,4-6H2,(H2,15,16)(H,17,19);1H
InChIKeyQDWKJJFXSFBZLM-UHFFFAOYSA-N
XLogP1.65
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120905204) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Nc1ncc(CN2CCC(C(=O)NCC(F)(F)F)C2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QDWKJJFXSFBZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS.ClH/c12-11(13,14)6-17-9(19)7-1-2-18(4-7)5-8-3-16-10(15)20-8;/h3,7H,1-2,4-6H2,(H2,15,16)(H,17,19);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120905204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).