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

C16H18F2N2O2S — CID 78848513

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H18F2N2O2S/c1-11-20-13(10-23-11)8-9-19-15(21)7-4-12-2-5-14(6-3-12)22-16(17)18/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,19,21)
InChIKeyKEIVSTJMFFTNOO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.34
Rot. Bonds8

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

3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 78848513) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID78848513
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H18F2N2O2S/c1-11-20-13(10-23-11)8-9-19-15(21)7-4-12-2-5-14(6-3-12)22-16(17)18/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,19,21)
InChIKeyKEIVSTJMFFTNOO-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51201922
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933880
2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35180836
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 78848513) is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1nc(CCNC(=O)CCc2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is KEIVSTJMFFTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-11-20-13(10-23-11)8-9-19-15(21)7-4-12-2-5-14(6-3-12)22-16(17)18/h2-3,5-6,10,16H,4,7-9H2,1H3,(H,19,21).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 78848513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).