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

C17H21N3O4S — CID 30547700

IUPAC2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(OC)c1
InChIInChI=1S/C17H21N3O4S/c1-22-13-3-4-14(15(9-13)23-2)16(21)19-17-18-12(11-25-17)10-20-5-7-24-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyWJFMDOJVUWANIA-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.24
Rot. Bonds6

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

2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30547700) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID30547700
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(OC)c1
InChIInChI=1S/C17H21N3O4S/c1-22-13-3-4-14(15(9-13)23-2)16(21)19-17-18-12(11-25-17)10-20-5-7-24-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyWJFMDOJVUWANIA-UHFFFAOYSA-N
XLogP2.24
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
CID 119830565
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 43140311
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
3-(2,5-dimethylpyrrol-1-yl)-4-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 167947490
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
CID 30893968
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 30547700) is 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WJFMDOJVUWANIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-22-13-3-4-14(15(9-13)23-2)16(21)19-17-18-12(11-25-17)10-20-5-7-24-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide?
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30547700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).