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

C16H19N3O2S — CID 1252103

IUPAC3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ncc(CN3CCOCC3)s2)c1
InChIInChI=1S/C16H19N3O2S/c1-12-3-2-4-13(9-12)15(20)18-16-17-10-14(22-16)11-19-5-7-21-8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,17,18,20)
InChIKeyAVBAFXWFTJKTHL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.54
Rot. Bonds4

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

3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1252103) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1252103
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ncc(CN3CCOCC3)s2)c1
InChIInChI=1S/C16H19N3O2S/c1-12-3-2-4-13(9-12)15(20)18-16-17-10-14(22-16)11-19-5-7-21-8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,17,18,20)
InChIKeyAVBAFXWFTJKTHL-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 1252103) is 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is Cc1cccc(C(=O)Nc2ncc(CN3CCOCC3)s2)c1.
What is the InChIKey of 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AVBAFXWFTJKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-3-2-4-13(9-12)15(20)18-16-17-10-14(22-16)11-19-5-7-21-8-6-19/h2-4,9-10H,5-8,11H2,1H3,(H,17,18,20).
What are the key properties of 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1252103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).