2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol

C14H9ClN4O2S2 — CID 138714126

IUPAC2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol
SMILESNc1nc2c(Oc3ccc(O)c4nc(N)sc34)ccc(Cl)c2s1
InChIInChI=1S/C14H9ClN4O2S2/c15-5-1-3-7(10-11(5)22-14(17)19-10)21-8-4-2-6(20)9-12(8)23-13(16)18-9/h1-4,20H,(H2,16,18)(H2,17,19)
InChIKeyPQUOUHPIUQTWNN-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.22
Rot. Bonds2

About 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol

2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol (PubChem CID 138714126) has the molecular formula C14H9ClN4O2S2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol
PubChem CID138714126
Molecular FormulaC14H9ClN4O2S2
Molecular Weight364.84 g/mol
Exact Mass363.99
IUPAC Name2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol
SMILESNc1nc2c(Oc3ccc(O)c4nc(N)sc34)ccc(Cl)c2s1
InChIInChI=1S/C14H9ClN4O2S2/c15-5-1-3-7(10-11(5)22-14(17)19-10)21-8-4-2-6(20)9-12(8)23-13(16)18-9/h1-4,20H,(H2,16,18)(H2,17,19)
InChIKeyPQUOUHPIUQTWNN-UHFFFAOYSA-N
XLogP4.22
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol (CID 138714126) is 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol is Nc1nc2c(Oc3ccc(O)c4nc(N)sc34)ccc(Cl)c2s1.
What is the InChIKey of 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol?
The InChIKey is PQUOUHPIUQTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2S2/c15-5-1-3-7(10-11(5)22-14(17)19-10)21-8-4-2-6(20)9-12(8)23-13(16)18-9/h1-4,20H,(H2,16,18)(H2,17,19).
What are the key properties of 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol?
2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol has a molecular weight of 364.84 g/mol, XLogP of 4.22, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-amino-7-chloro-1,3-benzothiazol-4-yl)oxy]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 138714126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).