N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H12F3N3OS — CID 63710768

IUPACN-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9(1-2-14-6-9)8(17)16-5-7-15-3-4-18-7/h3-4,14H,1-2,5-6H2,(H,16,17)
InChIKeyITNNNDQCVGDZTR-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.30
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710768) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710768
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9(1-2-14-6-9)8(17)16-5-7-15-3-4-18-7/h3-4,14H,1-2,5-6H2,(H,16,17)
InChIKeyITNNNDQCVGDZTR-UHFFFAOYSA-N
XLogP1.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3-pyrrolidinecarboxamide
CID 49355878
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 168208928
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 168208929
3-(1,3-Thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 177757175
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720446
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64481722
N-[1-(1,3-thiazol-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64487465
N-[2-(1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958382
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 79804766
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 79810680

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710768) is N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1nccs1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ITNNNDQCVGDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)9(1-2-14-6-9)8(17)16-5-7-15-3-4-18-7/h3-4,14H,1-2,5-6H2,(H,16,17).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).