N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide

C15H17ClN2O2S — CID 95339303

IUPACN-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H17ClN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyLFTDKJNBRFRDAI-VIFPVBQESA-N
MW324.83 g/mol
LogP3.60
Rot. Bonds5

About N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide

N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide (PubChem CID 95339303) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
PubChem CID95339303
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H17ClN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyLFTDKJNBRFRDAI-VIFPVBQESA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide (CID 95339303) is N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide is COCC(=O)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
The InChIKey is LFTDKJNBRFRDAI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9(17-13(19)8-20-3)14-10(2)18-15(21-14)11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,17,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide?
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide has a molecular weight of 324.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 95339303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).