N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C11H14F3N3OS — CID 167298075

IUPACN-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC2C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3OS/c1-7(18)16-10-15-5-8(19-10)6-17-4-2-3-9(17)11(12,13)14/h5,9H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyJBOFVHXHVQVEMH-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.63
Rot. Bonds3

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

N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 167298075) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID167298075
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC2C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3OS/c1-7(18)16-10-15-5-8(19-10)6-17-4-2-3-9(17)11(12,13)14/h5,9H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyJBOFVHXHVQVEMH-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
3-methyl-N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]butanamide
CID 1717062
3-(Methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 22909972
2,2,2-trifluoro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 23115861
1-Cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 57883537
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 86631926
Tert-butyl-[[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methyl]carbamic acid
CID 87871120
N-[5-[(2-aminoethylamino)methyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 88680398
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 130015249
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 167298075) is N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC2C(F)(F)F)s1.
What is the InChIKey of N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JBOFVHXHVQVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7(18)16-10-15-5-8(19-10)6-17-4-2-3-9(17)11(12,13)14/h5,9H,2-4,6H2,1H3,(H,15,16,18).
What are the key properties of N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).