N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine

C13H11BrN4OS — CID 63874590

IUPACN-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3ncc(Br)cn3)sc2c1
InChIInChI=1S/C13H11BrN4OS/c1-2-19-9-3-4-10-11(5-9)20-13(17-10)18-12-15-6-8(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17,18)
InChIKeyYTNQXSUTVBYSFN-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.99
Rot. Bonds4

About N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine

N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 63874590) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
PubChem CID63874590
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC NameN-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3ncc(Br)cn3)sc2c1
InChIInChI=1S/C13H11BrN4OS/c1-2-19-9-3-4-10-11(5-9)20-13(17-10)18-12-15-6-8(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17,18)
InChIKeyYTNQXSUTVBYSFN-UHFFFAOYSA-N
XLogP3.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 107601409
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
1-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
CID 83085276
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
1-(4-bromophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825553
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
CID 62684349

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine (CID 63874590) is N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc2nc(Nc3ncc(Br)cn3)sc2c1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is YTNQXSUTVBYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c1-2-19-9-3-4-10-11(5-9)20-13(17-10)18-12-15-6-8(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17,18).
What are the key properties of N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine?
N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 351.23 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63874590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).