3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H22FN3O3S — CID 119774480

IUPAC3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H22FN3O3S/c18-13-5-4-12(9-14(13)21-6-1-7-25(21,23)24)20-17(22)15-10-2-3-11(8-10)16(15)19/h4-5,9-11,15-16H,1-3,6-8,19H2,(H,20,22)
InChIKeyNUUKSQHGSWGLOI-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119774480) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119774480
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H22FN3O3S/c18-13-5-4-12(9-14(13)21-6-1-7-25(21,23)24)20-17(22)15-10-2-3-11(8-10)16(15)19/h4-5,9-11,15-16H,1-3,6-8,19H2,(H,20,22)
InChIKeyNUUKSQHGSWGLOI-UHFFFAOYSA-N
XLogP1.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119318237
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
5-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119127765
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
3-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119781796
3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832040

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119774480) is 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NUUKSQHGSWGLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c18-13-5-4-12(9-14(13)21-6-1-7-25(21,23)24)20-17(22)15-10-2-3-11(8-10)16(15)19/h4-5,9-11,15-16H,1-3,6-8,19H2,(H,20,22).
What are the key properties of 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119774480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).