N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine

C14H8ClN3OS — CID 50879036

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2sc(Nc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C14H8ClN3OS/c15-8-5-6-12-10(7-8)17-14(20-12)18-13-16-9-3-1-2-4-11(9)19-13/h1-7H,(H,16,17,18)
InChIKeyQHHOXVIDBPIXNL-UHFFFAOYSA-N
MW301.76 g/mol
LogP4.83
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine

N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 50879036) has the molecular formula C14H8ClN3OS and a molecular weight of 301.76 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID50879036
Molecular FormulaC14H8ClN3OS
Molecular Weight301.76 g/mol
Exact Mass301.01
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2sc(Nc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C14H8ClN3OS/c15-8-5-6-12-10(7-8)17-14(20-12)18-13-16-9-3-1-2-4-11(9)19-13/h1-7H,(H,16,17,18)
InChIKeyQHHOXVIDBPIXNL-UHFFFAOYSA-N
XLogP4.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine (CID 50879036) is N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is Clc1ccc2sc(Nc3nc4ccccc4o3)nc2c1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is QHHOXVIDBPIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3OS/c15-8-5-6-12-10(7-8)17-14(20-12)18-13-16-9-3-1-2-4-11(9)19-13/h1-7H,(H,16,17,18).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine?
N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 301.76 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 50879036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).