(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide

C16H14F3N3O2S — CID 70718924

IUPAC(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m1/s1
InChIKeyTXERJAYFGJGPJX-GFCCVEGCSA-N
MW369.37 g/mol
LogP2.92
Rot. Bonds3

About (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide

(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 70718924) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID70718924
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m1/s1
InChIKeyTXERJAYFGJGPJX-GFCCVEGCSA-N
XLogP2.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 70718924) is (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is TXERJAYFGJGPJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70718924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).