N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H14F3N3OS — CID 63720446

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)10(2-4-15-7-10)9(18)17-3-1-8-16-5-6-19-8/h5-6,15H,1-4,7H2,(H,17,18)
InChIKeyQZMDBRMJZPAOCF-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63720446) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63720446
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)10(2-4-15-7-10)9(18)17-3-1-8-16-5-6-19-8/h5-6,15H,1-4,7H2,(H,17,18)
InChIKeyQZMDBRMJZPAOCF-UHFFFAOYSA-N
XLogP1.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63720446) is N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCc1nccs1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QZMDBRMJZPAOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)10(2-4-15-7-10)9(18)17-3-1-8-16-5-6-19-8/h5-6,15H,1-4,7H2,(H,17,18).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63720446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).