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

C23H24ClN3O2S — CID 35054371

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H24ClN3O2S/c24-21-9-5-4-8-20(21)23-26-18(16-30-23)12-22(28)25-13-19-15-27(10-11-29-19)14-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H,25,28)/t19-/m0/s1
InChIKeyQAXLQCDYXGZAGQ-IBGZPJMESA-N
MW441.98 g/mol
LogP4.02
Rot. Bonds7

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

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 35054371) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID35054371
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H24ClN3O2S/c24-21-9-5-4-8-20(21)23-26-18(16-30-23)12-22(28)25-13-19-15-27(10-11-29-19)14-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H,25,28)/t19-/m0/s1
InChIKeyQAXLQCDYXGZAGQ-IBGZPJMESA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 35054371) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is QAXLQCDYXGZAGQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c24-21-9-5-4-8-20(21)23-26-18(16-30-23)12-22(28)25-13-19-15-27(10-11-29-19)14-17-6-2-1-3-7-17/h1-9,16,19H,10-15H2,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 441.98 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 35054371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).