N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide

C15H17ClN2O2S — CID 96517723

IUPACN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCO[C@@H](CNC(=O)CCc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-20-14(11-3-2-4-12(16)7-11)8-17-15(19)6-5-13-9-21-10-18-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyQBHHRUHGRZXMKW-AWEZNQCLSA-N
MW324.83 g/mol
LogP3.23
Rot. Bonds7

About N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 96517723) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID96517723
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCO[C@@H](CNC(=O)CCc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-20-14(11-3-2-4-12(16)7-11)8-17-15(19)6-5-13-9-21-10-18-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyQBHHRUHGRZXMKW-AWEZNQCLSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
N-[(2R)-2-(4-chlorophenyl)-2-methoxyethyl]-3-(3-methylphenyl)propanamide
CID 95777310
N-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-(3-methylphenyl)propanamide
CID 95777311
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282
tert-butyl (2R)-2-hydroxy-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 97254652
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide (CID 96517723) is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide is CO[C@@H](CNC(=O)CCc1cscn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is QBHHRUHGRZXMKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-20-14(11-3-2-4-12(16)7-11)8-17-15(19)6-5-13-9-21-10-18-13/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 324.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 96517723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).