2-amino-2,3-dihydro-1,3-benzothiazol-4-ol

C7H8N2OS — CID 143597083

IUPAC2-amino-2,3-dihydro-1,3-benzothiazol-4-ol
SMILESNC1Nc2c(O)cccc2S1
InChIInChI=1S/C7H8N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,7,9-10H,8H2
InChIKeyHNNFNTVNDUJNCD-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.15
Rot. Bonds

About 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol

2-amino-2,3-dihydro-1,3-benzothiazol-4-ol (PubChem CID 143597083) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1,3-benzothiazol-4-ol
PubChem CID143597083
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-amino-2,3-dihydro-1,3-benzothiazol-4-ol
SMILESNC1Nc2c(O)cccc2S1
InChIInChI=1S/C7H8N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,7,9-10H,8H2
InChIKeyHNNFNTVNDUJNCD-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115094769
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
benzene-1,2,3-triol
CID 87074018
4-chloro-2-methyl-2,3-dihydro-1,3-benzothiazole;ethane
CID 178049354
benzene-1,2,3-triol;bismuthane
CID 174447840
2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84643694
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
2-(aminomethyl)-5-fluoro-4H-1,4-benzothiazin-3-one
CID 84621659
2-amino-3-piperidin-4-ylphenol
CID 117103764
anthracene-1,5,9,10-tetrol
CID 71371518
2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
CID 84628945
2,6-di(cyclobutyl)phenol
CID 57426118

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol (CID 143597083) is 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol is NC1Nc2c(O)cccc2S1.
What is the InChIKey of 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol?
The InChIKey is HNNFNTVNDUJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,7,9-10H,8H2.
What are the key properties of 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol?
2-amino-2,3-dihydro-1,3-benzothiazol-4-ol has a molecular weight of 168.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 143597083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).