4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride

C12H17ClF3N3O2S — CID 119813851

IUPAC4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CC(O)CN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H16F3N3O2S.ClH/c1-2-7(11-18-9(5-21-11)12(13,14)15)17-10(20)8-3-6(19)4-16-8;/h5-8,16,19H,2-4H2,1H3,(H,17,20);1H
InChIKeyFPDMLRUXJNCXKD-UHFFFAOYSA-N
MW359.80 g/mol
LogP1.87
Rot. Bonds4

About 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119813851) has the molecular formula C12H17ClF3N3O2S and a molecular weight of 359.80 g/mol. Its IUPAC name is 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119813851
Molecular FormulaC12H17ClF3N3O2S
Molecular Weight359.80 g/mol
Exact Mass359.07
IUPAC Name4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CC(O)CN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H16F3N3O2S.ClH/c1-2-7(11-18-9(5-21-11)12(13,14)15)17-10(20)8-3-6(19)4-16-8;/h5-8,16,19H,2-4H2,1H3,(H,17,20);1H
InChIKeyFPDMLRUXJNCXKD-UHFFFAOYSA-N
XLogP1.87
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119813851) is 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride is CCC(NC(=O)C1CC(O)CN1)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FPDMLRUXJNCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S.ClH/c1-2-7(11-18-9(5-21-11)12(13,14)15)17-10(20)8-3-6(19)4-16-8;/h5-8,16,19H,2-4H2,1H3,(H,17,20);1H.
What are the key properties of 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 359.80 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119813851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).