3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide

C16H10BrN3O2S — CID 118507162

IUPAC3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccc(Br)c4)oc32)s1
InChIInChI=1S/C16H10BrN3O2S/c1-8-18-13-12(23-8)6-5-11-14(13)22-16(19-11)20-15(21)9-3-2-4-10(17)7-9/h2-7H,1H3,(H,19,20,21)
InChIKeyYQWBNNKVYARUDD-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.76
Rot. Bonds2

About 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide

3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide (PubChem CID 118507162) has the molecular formula C16H10BrN3O2S and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide
PubChem CID118507162
Molecular FormulaC16H10BrN3O2S
Molecular Weight388.25 g/mol
Exact Mass386.97
IUPAC Name3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4cccc(Br)c4)oc32)s1
InChIInChI=1S/C16H10BrN3O2S/c1-8-18-13-12(23-8)6-5-11-14(13)22-16(19-11)20-15(21)9-3-2-4-10(17)7-9/h2-7H,1H3,(H,19,20,21)
InChIKeyYQWBNNKVYARUDD-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
N-(3-bromophenyl)-7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2-carboxamide
CID 86263639
3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
3-bromo-N-methyl-N-[C-methyl-N-(2-methyl-4-sulfanyl-1,3-benzothiazol-5-yl)carbonimidoyl]benzamide
CID 123640349
3-bromo-N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-6-yl]benzamide
CID 50882010
3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 23992514
3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
CID 91624677
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide (CID 118507162) is 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide is Cc1nc2c(ccc3nc(NC(=O)c4cccc(Br)c4)oc32)s1.
What is the InChIKey of 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide?
The InChIKey is YQWBNNKVYARUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2S/c1-8-18-13-12(23-8)6-5-11-14(13)22-16(19-11)20-15(21)9-3-2-4-10(17)7-9/h2-7H,1H3,(H,19,20,21).
What are the key properties of 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide?
3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide has a molecular weight of 388.25 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(7-methyl-[1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)benzamide is sourced from PubChem (CID 118507162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).