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

C10H14F3N3OS — CID 120900273

IUPAC1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESNc1ncc(CN2CCCC2C(O)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/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)
InChIKeyZLTAKUBQEAXWMV-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.61
Rot. Bonds3

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

1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 120900273) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID120900273
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESNc1ncc(CN2CCCC2C(O)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/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)
InChIKeyZLTAKUBQEAXWMV-UHFFFAOYSA-N
XLogP1.61
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.61
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?
The IUPAC name of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol (CID 120900273) is 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol is 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?
The InChIKey is ZLTAKUBQEAXWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/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).
What are the key properties of 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 281.30 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 120900273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).