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

C11H15F3N4OS — CID 120905205

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)NCC(F)(F)F)C2)s1
InChIInChI=1S/C11H15F3N4OS/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)
InChIKeyOGCREWVJQVPAOS-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 120905205) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID120905205
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESNc1ncc(CN2CCC(C(=O)NCC(F)(F)F)C2)s1
InChIInChI=1S/C11H15F3N4OS/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)
InChIKeyOGCREWVJQVPAOS-UHFFFAOYSA-N
XLogP1.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
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?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 120905205) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is 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?
The InChIKey is OGCREWVJQVPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/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).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 120905205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).