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

C22H23N3O3S — CID 9265972

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H23N3O3S/c1-16-23-18(15-29-16)14-28-19-8-6-17(7-9-19)22(26)24-20-4-2-3-5-21(20)25-10-12-27-13-11-25/h2-9,15H,10-14H2,1H3,(H,24,26)
InChIKeyCITSOIUHJXGQNM-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.12
Rot. Bonds6

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

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 9265972) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID9265972
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H23N3O3S/c1-16-23-18(15-29-16)14-28-19-8-6-17(7-9-19)22(26)24-20-4-2-3-5-21(20)25-10-12-27-13-11-25/h2-9,15H,10-14H2,1H3,(H,24,26)
InChIKeyCITSOIUHJXGQNM-UHFFFAOYSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27286537
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 31420066
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide (CID 9265972) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide is Cc1nc(COc2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is CITSOIUHJXGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-23-18(15-29-16)14-28-19-8-6-17(7-9-19)22(26)24-20-4-2-3-5-21(20)25-10-12-27-13-11-25/h2-9,15H,10-14H2,1H3,(H,24,26).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 9265972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).