2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

C15H17FN2O2S — CID 45148684

IUPAC2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(C)Oc2ccccc2F)cs1
InChIInChI=1S/C15H17FN2O2S/c1-10(20-14-6-4-3-5-13(14)16)15(19)17-8-7-12-9-21-11(2)18-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyBBROJFCSFXEIDV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 45148684) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID45148684
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(C)Oc2ccccc2F)cs1
InChIInChI=1S/C15H17FN2O2S/c1-10(20-14-6-4-3-5-13(14)16)15(19)17-8-7-12-9-21-11(2)18-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyBBROJFCSFXEIDV-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 35340568
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819769
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111450510

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 45148684) is 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1nc(CCNC(=O)C(C)Oc2ccccc2F)cs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is BBROJFCSFXEIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10(20-14-6-4-3-5-13(14)16)15(19)17-8-7-12-9-21-11(2)18-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 45148684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).