N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H14F3N3OS — CID 55227646

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)cs1
InChIInChI=1S/C11H14F3N3OS/c1-7-17-8(5-19-7)4-16-9(18)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,18)
InChIKeyINNKOCAGCSTSNR-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.61
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227646) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227646
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)cs1
InChIInChI=1S/C11H14F3N3OS/c1-7-17-8(5-19-7)4-16-9(18)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,18)
InChIKeyINNKOCAGCSTSNR-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227646) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2(C(F)(F)F)CCNC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is INNKOCAGCSTSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7-17-8(5-19-7)4-16-9(18)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).