2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide

C15H17FN2O3S — CID 110907802

IUPAC2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(O)COc2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O3S/c1-2-14-17-8-13(22-14)15(20)18-7-11(19)9-21-12-5-3-10(16)4-6-12/h3-6,8,11,19H,2,7,9H2,1H3,(H,18,20)
InChIKeyIOKLSLZYCPGIGK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.01
Rot. Bonds7

About 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide (PubChem CID 110907802) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
PubChem CID110907802
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(O)COc2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O3S/c1-2-14-17-8-13(22-14)15(20)18-7-11(19)9-21-12-5-3-10(16)4-6-12/h3-6,8,11,19H,2,7,9H2,1H3,(H,18,20)
InChIKeyIOKLSLZYCPGIGK-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide (CID 110907802) is 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCC(O)COc2ccc(F)cc2)s1.
What is the InChIKey of 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IOKLSLZYCPGIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-2-14-17-8-13(22-14)15(20)18-7-11(19)9-21-12-5-3-10(16)4-6-12/h3-6,8,11,19H,2,7,9H2,1H3,(H,18,20).
What are the key properties of 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110907802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).