1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol

C10H8N2OS — CID 10375638

IUPAC1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol
SMILESOc1cc2c([nH]1)Nc1ccccc1S2
InChIInChI=1S/C10H8N2OS/c13-9-5-8-10(12-9)11-6-3-1-2-4-7(6)14-8/h1-5,11-13H
InChIKeyNZRPLOCKRZJDQV-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.93
Rot. Bonds

About 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol

1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol (PubChem CID 10375638) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol.

Molecular Properties

Compound Name1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol
PubChem CID10375638
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol
SMILESOc1cc2c([nH]1)Nc1ccccc1S2
InChIInChI=1S/C10H8N2OS/c13-9-5-8-10(12-9)11-6-3-1-2-4-7(6)14-8/h1-5,11-13H
InChIKeyNZRPLOCKRZJDQV-UHFFFAOYSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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10H-phenothiazine-1,2-diol
CID 19596784
4-tert-butylphenol;10H-phenothiazine
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CID 174744500
CID 174744500
2-methyl-10H-phenothiazine
CID 611628
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
10H-phenothiazine-3-carboxamide
CID 153418714

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol?
The IUPAC name of 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol (CID 10375638) is 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol.
What is the SMILES notation for 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol?
The canonical SMILES for 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol is Oc1cc2c([nH]1)Nc1ccccc1S2.
What is the InChIKey of 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol?
The InChIKey is NZRPLOCKRZJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-5-8-10(12-9)11-6-3-1-2-4-7(6)14-8/h1-5,11-13H.
What are the key properties of 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol?
1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol has a molecular weight of 204.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydropyrrolo[3,2-b][1,4]benzothiazin-2-ol is sourced from PubChem (CID 10375638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).