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

C21H20BrN3O2S — CID 108750928

IUPAC2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)c1ccccc1Br
InChIInChI=1S/C21H20BrN3O2S/c22-17-9-5-4-8-16(17)20(26)24-21-23-19(15-6-2-1-3-7-15)18(28-21)14-25-10-12-27-13-11-25/h1-9H,10-14H2,(H,23,24,26)
InChIKeyIQBCXZJTIHAUTA-UHFFFAOYSA-N
MW458.38 g/mol
LogP4.66
Rot. Bonds5

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

2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 108750928) has the molecular formula C21H20BrN3O2S and a molecular weight of 458.38 g/mol. Its IUPAC name is 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID108750928
Molecular FormulaC21H20BrN3O2S
Molecular Weight458.38 g/mol
Exact Mass457.05
IUPAC Name2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)c1ccccc1Br
InChIInChI=1S/C21H20BrN3O2S/c22-17-9-5-4-8-16(17)20(26)24-21-23-19(15-6-2-1-3-7-15)18(28-21)14-25-10-12-27-13-11-25/h1-9H,10-14H2,(H,23,24,26)
InChIKeyIQBCXZJTIHAUTA-UHFFFAOYSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 108750995
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 108780412
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400
2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108750977
5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine
CID 108771899

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 108750928) is 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is IQBCXZJTIHAUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2S/c22-17-9-5-4-8-16(17)20(26)24-21-23-19(15-6-2-1-3-7-15)18(28-21)14-25-10-12-27-13-11-25/h1-9H,10-14H2,(H,23,24,26).
What are the key properties of 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 458.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108750928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).