4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine

C11H10N2S — CID 143402060

IUPAC4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine
SMILESc1ccc2c(c1)NCc1cccn1S2
InChIInChI=1S/C11H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)14-11/h1-7,12H,8H2
InChIKeyUPPAVKWDZTYOOL-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.97
Rot. Bonds

About 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine

4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine (PubChem CID 143402060) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine.

Molecular Properties

Compound Name4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine
PubChem CID143402060
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine
SMILESc1ccc2c(c1)NCc1cccn1S2
InChIInChI=1S/C11H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)14-11/h1-7,12H,8H2
InChIKeyUPPAVKWDZTYOOL-UHFFFAOYSA-N
XLogP2.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine;ethyl acetate
CID 143402059
2-benzyl-3,4-dihydro-1,2,4-benzothiadiazine
CID 154486612
2,3-dihydro-1,3-benzothiazole;ethene
CID 143195772
2-hydroxy-3H-1,2,3-benzothiadiazole
CID 66810769
3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
CID 16752034
4,5,7,8-tetrahydro-1,3,6,8-benzotrithiazecine
CID 163183529
2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole
CID 69347207
3H-1,2,3-benzothiadiazol-2-ylboronic acid
CID 141298211
3,25-dithia-10,18-diazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),4,6,8,12(32),13,15,19,21,23,27,29-dodecaene
CID 101109428
2-(thiophen-2-ylmethylidene)-3,4-dihydro-1,4-benzothiazine
CID 57373083
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine
CID 14639043

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine?
The IUPAC name of 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine (CID 143402060) is 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine.
What is the SMILES notation for 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine?
The canonical SMILES for 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine is c1ccc2c(c1)NCc1cccn1S2.
What is the InChIKey of 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine?
The InChIKey is UPPAVKWDZTYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)14-11/h1-7,12H,8H2.
What are the key properties of 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine?
4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine has a molecular weight of 202.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepine is sourced from PubChem (CID 143402060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).