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

C17H21N3O2S — CID 56906085

IUPACN-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CC1COCCN1
InChIInChI=1S/C17H21N3O2S/c1-20(16(21)9-14-11-22-8-7-18-14)10-15-12-23-17(19-15)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3
InChIKeyIGLVKALCADXFTP-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.15
Rot. Bonds5

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

N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 56906085) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID56906085
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CC1COCCN1
InChIInChI=1S/C17H21N3O2S/c1-20(16(21)9-14-11-22-8-7-18-14)10-15-12-23-17(19-15)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3
InChIKeyIGLVKALCADXFTP-UHFFFAOYSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (CID 56906085) is N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)CC1COCCN1.
What is the InChIKey of N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is IGLVKALCADXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20(16(21)9-14-11-22-8-7-18-14)10-15-12-23-17(19-15)13-5-3-2-4-6-13/h2-6,12,14,18H,7-11H2,1H3.
What are the key properties of N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-3-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 56906085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).