N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide

C18H21N3O3S — CID 30893968

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H21N3O3S/c1-2-9-24-16-6-4-3-5-15(16)17(22)20-18-19-14(13-25-18)12-21-7-10-23-11-8-21/h2-6,13H,1,7-12H2,(H,19,20,22)
InChIKeyIZHZVIJPZPGAJN-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.79
Rot. Bonds7

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide (PubChem CID 30893968) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
PubChem CID30893968
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H21N3O3S/c1-2-9-24-16-6-4-3-5-15(16)17(22)20-18-19-14(13-25-18)12-21-7-10-23-11-8-21/h2-6,13H,1,7-12H2,(H,19,20,22)
InChIKeyIZHZVIJPZPGAJN-UHFFFAOYSA-N
XLogP2.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 17472342
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide (CID 30893968) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide?
The InChIKey is IZHZVIJPZPGAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-9-24-16-6-4-3-5-15(16)17(22)20-18-19-14(13-25-18)12-21-7-10-23-11-8-21/h2-6,13H,1,7-12H2,(H,19,20,22).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide has a molecular weight of 359.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 30893968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).