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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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
CID 50879330
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-(1,3-benzothiazol-2-yl)-5-tert-butyl-1,3-benzoxazol-2-amine
CID 50879002
5-chloro-N-quinolin-3-yl-1,3-benzothiazol-2-amine
CID 63547522
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3-benzoxazole
CID 17398759
2-N-(5-chloro-1,3-benzoxazol-2-yl)-6-methyl-1,3-benzothiazole-2,4-diamine
CID 50878957
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
1-N-(5-chloro-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760291
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
2-N-(5-chloro-1,3-benzoxazol-2-yl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 50878851
5-chloro-N-(6-methoxy-4-nitro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50878910
N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50878908

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).