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

C10H15ClF3N3OS — CID 120900272

IUPAC1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCCC2C(O)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)8(17)7-2-1-3-16(7)5-6-4-15-9(14)18-6;/h4,7-8,17H,1-3,5H2,(H2,14,15);1H
InChIKeyDMZPLRFRCISRQC-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.03
Rot. Bonds3

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

1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride (PubChem CID 120900272) has the molecular formula C10H15ClF3N3OS and a molecular weight of 317.76 g/mol. Its IUPAC name is 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
PubChem CID120900272
Molecular FormulaC10H15ClF3N3OS
Molecular Weight317.76 g/mol
Exact Mass317.06
IUPAC Name1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.Nc1ncc(CN2CCCC2C(O)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)8(17)7-2-1-3-16(7)5-6-4-15-9(14)18-6;/h4,7-8,17H,1-3,5H2,(H2,14,15);1H
InChIKeyDMZPLRFRCISRQC-UHFFFAOYSA-N
XLogP2.03
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The IUPAC name of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride (CID 120900272) is 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride.
What is the SMILES notation for 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The canonical SMILES for 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride is Cl.Nc1ncc(CN2CCCC2C(O)C(F)(F)F)s1.
What is the InChIKey of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The InChIKey is DMZPLRFRCISRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)8(17)7-2-1-3-16(7)5-6-4-15-9(14)18-6;/h4,7-8,17H,1-3,5H2,(H2,14,15);1H.
What are the key properties of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride has a molecular weight of 317.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride is sourced from PubChem (CID 120900272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).