2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol

C10H10N2OS — CID 84779151

IUPAC2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
SMILESNC1(c2nc3ccc(O)cc3s2)CC1
InChIInChI=1S/C10H10N2OS/c11-10(3-4-10)9-12-7-2-1-6(13)5-8(7)14-9/h1-2,5,13H,3-4,11H2
InChIKeyGFFRLTPMZMNFEJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.95
Rot. Bonds1

About 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol

2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol (PubChem CID 84779151) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
PubChem CID84779151
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
SMILESNC1(c2nc3ccc(O)cc3s2)CC1
InChIInChI=1S/C10H10N2OS/c11-10(3-4-10)9-12-7-2-1-6(13)5-8(7)14-9/h1-2,5,13H,3-4,11H2
InChIKeyGFFRLTPMZMNFEJ-UHFFFAOYSA-N
XLogP1.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol (CID 84779151) is 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol is NC1(c2nc3ccc(O)cc3s2)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol?
The InChIKey is GFFRLTPMZMNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10(3-4-10)9-12-7-2-1-6(13)5-8(7)14-9/h1-2,5,13H,3-4,11H2.
What are the key properties of 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol?
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol has a molecular weight of 206.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 84779151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).