N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide

C16H18ClN3O2S — CID 43845245

IUPACN-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCOCC2)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2S/c1-11(21)18-15-14(10-12-3-2-4-13(17)9-12)23-16(19-15)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,21)
InChIKeyGPBNWOLPIJRJQQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.18
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide

N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide (PubChem CID 43845245) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide
PubChem CID43845245
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCOCC2)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O2S/c1-11(21)18-15-14(10-12-3-2-4-13(17)9-12)23-16(19-15)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,21)
InChIKeyGPBNWOLPIJRJQQ-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide (CID 43845245) is N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1nc(N2CCOCC2)sc1Cc1cccc(Cl)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide?
The InChIKey is GPBNWOLPIJRJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-11(21)18-15-14(10-12-3-2-4-13(17)9-12)23-16(19-15)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,18,21).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide?
N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide has a molecular weight of 351.86 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 43845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).