5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine

C12H11BrN4OS — CID 106419885

IUPAC5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(CCNc2nc3cc(Br)ccc3s2)n1
InChIInChI=1S/C12H11BrN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyJUVBNSGKRIPDRJ-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.40
Rot. Bonds4

About 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine

5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 106419885) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID106419885
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1noc(CCNc2nc3cc(Br)ccc3s2)n1
InChIInChI=1S/C12H11BrN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyJUVBNSGKRIPDRJ-UHFFFAOYSA-N
XLogP3.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419895
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
4-bromo-2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 114185801
N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43306522
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106418688
5-bromo-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487887
3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanamide
CID 43553812
N-(5-bromo-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62979402
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115580
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106049310
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (CID 106419885) is 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1noc(CCNc2nc3cc(Br)ccc3s2)n1.
What is the InChIKey of 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is JUVBNSGKRIPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c1-7-15-11(18-17-7)4-5-14-12-16-9-6-8(13)2-3-10(9)19-12/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 339.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106419885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).