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

C10H12N2OS — CID 39106581

IUPAC2-(3-aminopropyl)-1,3-benzothiazol-6-ol
SMILESNCCCc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H12N2OS/c11-5-1-2-10-12-8-4-3-7(13)6-9(8)14-10/h3-4,6,13H,1-2,5,11H2
InChIKeyOGOVZKCPSFIDHW-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.89
Rot. Bonds3

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

2-(3-aminopropyl)-1,3-benzothiazol-6-ol (PubChem CID 39106581) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-1,3-benzothiazol-6-ol
PubChem CID39106581
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(3-aminopropyl)-1,3-benzothiazol-6-ol
SMILESNCCCc1nc2ccc(O)cc2s1
InChIInChI=1S/C10H12N2OS/c11-5-1-2-10-12-8-4-3-7(13)6-9(8)14-10/h3-4,6,13H,1-2,5,11H2
InChIKeyOGOVZKCPSFIDHW-UHFFFAOYSA-N
XLogP1.89
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 39107354
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(3-aminopropyl)-1,3-benzothiazol-6-ol (CID 39106581) is 2-(3-aminopropyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(3-aminopropyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(3-aminopropyl)-1,3-benzothiazol-6-ol is NCCCc1nc2ccc(O)cc2s1.
What is the InChIKey of 2-(3-aminopropyl)-1,3-benzothiazol-6-ol?
The InChIKey is OGOVZKCPSFIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-5-1-2-10-12-8-4-3-7(13)6-9(8)14-10/h3-4,6,13H,1-2,5,11H2.
What are the key properties of 2-(3-aminopropyl)-1,3-benzothiazol-6-ol?
2-(3-aminopropyl)-1,3-benzothiazol-6-ol has a molecular weight of 208.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 39106581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).