3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H18F3N3OS — CID 119805400

IUPAC3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)9-6-22-10(20-9)3-4-19-13(21)11-7-1-2-8(5-7)12(11)18/h6-8,11-12H,1-5,18H2,(H,19,21)
InChIKeyTVJHLGOQZWCTME-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119805400) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119805400
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC Name3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)9-6-22-10(20-9)3-4-19-13(21)11-7-1-2-8(5-7)12(11)18/h6-8,11-12H,1-5,18H2,(H,19,21)
InChIKeyTVJHLGOQZWCTME-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119335999
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119891748
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 100651064
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928
2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
CID 71993376
3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 111509236
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119752652
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106415936

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119805400) is 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is TVJHLGOQZWCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)9-6-22-10(20-9)3-4-19-13(21)11-7-1-2-8(5-7)12(11)18/h6-8,11-12H,1-5,18H2,(H,19,21).
What are the key properties of 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119805400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).