1-(2,1-benzothiazol-3-ylamino)pentan-2-ol

C12H16N2OS — CID 115622893

IUPAC1-(2,1-benzothiazol-3-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1snc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-10-6-3-4-7-11(10)14-16-12/h3-4,6-7,9,13,15H,2,5,8H2,1H3
InChIKeyZYJDYNPTFJYYAR-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.87
Rot. Bonds5

About 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol

1-(2,1-benzothiazol-3-ylamino)pentan-2-ol (PubChem CID 115622893) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(2,1-benzothiazol-3-ylamino)pentan-2-ol
PubChem CID115622893
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(2,1-benzothiazol-3-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1snc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-10-6-3-4-7-11(10)14-16-12/h3-4,6-7,9,13,15H,2,5,8H2,1H3
InChIKeyZYJDYNPTFJYYAR-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol?
The IUPAC name of 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol (CID 115622893) is 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol.
What is the SMILES notation for 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol?
The canonical SMILES for 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol is CCCC(O)CNc1snc2ccccc12.
What is the InChIKey of 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol?
The InChIKey is ZYJDYNPTFJYYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-10-6-3-4-7-11(10)14-16-12/h3-4,6-7,9,13,15H,2,5,8H2,1H3.
What are the key properties of 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol?
1-(2,1-benzothiazol-3-ylamino)pentan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzothiazol-3-ylamino)pentan-2-ol is sourced from PubChem (CID 115622893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).