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

C11H14F3N3OS — CID 63710605

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C11H14F3N3OS/c1-7-16-4-8(19-7)5-17-9(18)10(11(12,13)14)2-3-15-6-10/h4,15H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyNVNAGBPMJZQSDZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.61
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710605) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710605
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(CNC(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C11H14F3N3OS/c1-7-16-4-8(19-7)5-17-9(18)10(11(12,13)14)2-3-15-6-10/h4,15H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyNVNAGBPMJZQSDZ-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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Related Compounds

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 121446729
1-[1-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
CID 75380792
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 75380800
(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 164633225
(3R)-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]pyrrolidine-3-carboxamide
CID 135378379
(3R)-N-[1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]pyrrolidine-3-carboxamide
CID 135378380
N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]pyrrolidine-3-carboxamide
CID 135378381
2-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 174382239
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60958351
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62726537
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709863
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720446

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710605) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ncc(CNC(=O)C2(C(F)(F)F)CCNC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NVNAGBPMJZQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7-16-4-8(19-7)5-17-9(18)10(11(12,13)14)2-3-15-6-10/h4,15H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-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-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).