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

C21H20FN3O3S — CID 41248355

IUPAC3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1F
InChIInChI=1S/C21H20FN3O3S/c1-27-19-7-4-15(12-17(19)22)20(26)23-16-5-2-14(3-6-16)18-13-29-21(24-18)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyDPIQBHIDDNSQDA-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.05
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 41248355) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID41248355
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1F
InChIInChI=1S/C21H20FN3O3S/c1-27-19-7-4-15(12-17(19)22)20(26)23-16-5-2-14(3-6-16)18-13-29-21(24-18)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyDPIQBHIDDNSQDA-UHFFFAOYSA-N
XLogP4.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 73168622
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
2-(3-acetylphenoxy)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24573065
(3,4-dimethoxyphenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 133371022
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 41248355) is 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is DPIQBHIDDNSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-27-19-7-4-15(12-17(19)22)20(26)23-16-5-2-14(3-6-16)18-13-29-21(24-18)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26).
What are the key properties of 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 413.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 41248355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).