N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide

C19H15FN2O2S — CID 139006015

IUPACN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Oc2nccs2)c1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)16-11-17(16)22-18(23)13-4-2-6-15(10-13)24-19-21-7-8-25-19/h1-10,16-17H,11H2,(H,22,23)/t16-,17+/m0/s1
InChIKeyZJHVWYGDPCYDGE-DLBZAZTESA-N
MW354.41 g/mol
LogP4.36
Rot. Bonds5

About N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 139006015) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide
PubChem CID139006015
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Oc2nccs2)c1
InChIInChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)16-11-17(16)22-18(23)13-4-2-6-15(10-13)24-19-21-7-8-25-19/h1-10,16-17H,11H2,(H,22,23)/t16-,17+/m0/s1
InChIKeyZJHVWYGDPCYDGE-DLBZAZTESA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144700
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-pyrazin-2-yloxybenzamide
CID 139010394
2-azabicyclo[2.2.1]heptan-2-yl-[3-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 71875080
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
3-[[5-(3-fluorophenyl)-2-pyridinyl]amino]-N-[(1R,2S)-2-phenylcyclopropyl]benzamide
CID 164589548
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 95186028
N-[2-(3-fluorophenyl)cyclopropyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 71884217
2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
CID 26336754
5-cyclopropyl-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 99784094
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-5-methoxybenzamide
CID 120606571

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide (CID 139006015) is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide is O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Oc2nccs2)c1.
What is the InChIKey of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is ZJHVWYGDPCYDGE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-14-5-1-3-12(9-14)16-11-17(16)22-18(23)13-4-2-6-15(10-13)24-19-21-7-8-25-19/h1-10,16-17H,11H2,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide?
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 354.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 139006015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).