1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine

C10H7N3O2S2 — CID 4770387

IUPAC1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2nccs2)c2ccccc21
InChIInChI=1S/C10H7N3O2S2/c14-17(15)8-4-2-1-3-7(8)9(13-17)12-10-11-5-6-16-10/h1-6H,(H,11,12,13)
InChIKeyCXVPWFJNMUSAHK-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.70
Rot. Bonds1

About 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine

1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine (PubChem CID 4770387) has the molecular formula C10H7N3O2S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine
PubChem CID4770387
Molecular FormulaC10H7N3O2S2
Molecular Weight265.32 g/mol
Exact Mass265.00
IUPAC Name1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2nccs2)c2ccccc21
InChIInChI=1S/C10H7N3O2S2/c14-17(15)8-4-2-1-3-7(8)9(13-17)12-10-11-5-6-16-10/h1-6H,(H,11,12,13)
InChIKeyCXVPWFJNMUSAHK-UHFFFAOYSA-N
XLogP1.70
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine (CID 4770387) is 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine is O=S1(=O)N=C(Nc2nccs2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine?
The InChIKey is CXVPWFJNMUSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S2/c14-17(15)8-4-2-1-3-7(8)9(13-17)12-10-11-5-6-16-10/h1-6H,(H,11,12,13).
What are the key properties of 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine?
1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine has a molecular weight of 265.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 4770387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).