2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C7H10N2OS — CID 64976468

IUPAC2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESNc1nc2c(s1)CCCC2O
InChIInChI=1S/C7H10N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h4,10H,1-3H2,(H2,8,9)
InChIKeyJRUBJRUQFFSUMH-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.10
Rot. Bonds

About 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976468) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976468
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESNc1nc2c(s1)CCCC2O
InChIInChI=1S/C7H10N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h4,10H,1-3H2,(H2,8,9)
InChIKeyJRUBJRUQFFSUMH-UHFFFAOYSA-N
XLogP1.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976468) is 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is Nc1nc2c(s1)CCCC2O.
What is the InChIKey of 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is JRUBJRUQFFSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h4,10H,1-3H2,(H2,8,9).
What are the key properties of 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 170.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).