N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide

C15H17FN2O2S — CID 97255935

IUPACN-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCC[C@H](CNC(=O)c1csnc1C)Oc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-12(20-13-6-4-5-11(16)7-13)8-17-15(19)14-9-21-18-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyKBWXXKFWXQTKJJ-GFCCVEGCSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds6

About N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 97255935) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID97255935
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCC[C@H](CNC(=O)c1csnc1C)Oc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-12(20-13-6-4-5-11(16)7-13)8-17-15(19)14-9-21-18-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyKBWXXKFWXQTKJJ-GFCCVEGCSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614
N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
CID 71974057
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
2-fluoro-N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109475813
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
CID 99837257
2-chloro-N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109475623
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 109476020

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 97255935) is N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide is CC[C@H](CNC(=O)c1csnc1C)Oc1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is KBWXXKFWXQTKJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-12(20-13-6-4-5-11(16)7-13)8-17-15(19)14-9-21-18-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 97255935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).