2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

C15H17ClN2O2S — CID 121122668

IUPAC2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)c(CNC(=O)C(C)Oc2cccc(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9-14(21-11(3)18-9)8-17-15(19)10(2)20-13-6-4-5-12(16)7-13/h4-7,10H,8H2,1-3H3,(H,17,19)
InChIKeyCDDIWJAWSMZHGD-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.50
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 121122668) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID121122668
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)c(CNC(=O)C(C)Oc2cccc(Cl)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9-14(21-11(3)18-9)8-17-15(19)10(2)20-13-6-4-5-12(16)7-13/h4-7,10H,8H2,1-3H3,(H,17,19)
InChIKeyCDDIWJAWSMZHGD-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122639
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121122663
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 71795609
2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122101
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (CID 121122668) is 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1nc(C)c(CNC(=O)C(C)Oc2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is CDDIWJAWSMZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-14(21-11(3)18-9)8-17-15(19)10(2)20-13-6-4-5-12(16)7-13/h4-7,10H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 324.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 121122668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).