(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C10H17N3OS — CID 24945055

IUPAC(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCN[C@H]1CCc2nc(N)sc2[C@H]1O
InChIInChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)/t6-,8-/m0/s1
InChIKeyUWNDKVURLHPSSG-XPUUQOCRSA-N
MW227.33 g/mol
LogP1.07
Rot. Bonds3

About (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 24945055) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID24945055
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCN[C@H]1CCc2nc(N)sc2[C@H]1O
InChIInChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)/t6-,8-/m0/s1
InChIKeyUWNDKVURLHPSSG-XPUUQOCRSA-N
XLogP1.07
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 24945055) is (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCCN[C@H]1CCc2nc(N)sc2[C@H]1O.
What is the InChIKey of (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is UWNDKVURLHPSSG-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)/t6-,8-/m0/s1.
What are the key properties of (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
(6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 227.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 24945055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).