10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide

C13H11N3OS — CID 172745227

IUPAC10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide
SMILESNC(=O)C1=CC=C2C=Nc3ccccc3SN2C1
InChIInChI=1S/C13H11N3OS/c14-13(17)9-5-6-10-7-15-11-3-1-2-4-12(11)18-16(10)8-9/h1-7H,8H2,(H2,14,17)
InChIKeyJQAHMCVGCSIQDB-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.02
Rot. Bonds1

About 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide

10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide (PubChem CID 172745227) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide.

Molecular Properties

Compound Name10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide
PubChem CID172745227
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide
SMILESNC(=O)C1=CC=C2C=Nc3ccccc3SN2C1
InChIInChI=1S/C13H11N3OS/c14-13(17)9-5-6-10-7-15-11-3-1-2-4-12(11)18-16(10)8-9/h1-7H,8H2,(H2,14,17)
InChIKeyJQAHMCVGCSIQDB-UHFFFAOYSA-N
XLogP2.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4H-quinolizine-3-carboxamide
CID 18755300
4H-benzo[a]quinolizine-3-carboxamide
CID 140524900
2H-1,4-benzothiazine;bis((Z)-but-2-enedioic acid)
CID 162310233
2H-1,4-benzothiazine;(Z)-but-2-enedioic acid
CID 172711693
4H-quinazoline-3-carboxamide;hydrochloride
CID 67974044
6-chloro-1-methyl-2H-pyridine-3-carboxamide
CID 165394277
2-[2-(4-benzo[b][1,4]benzothiazepin-7-ylpiperazin-1-yl)ethoxy]ethyl acetate
CID 69489517
1H-pyrrolo[1,2-a][1,4]benzodiazepine-2-carboxamide
CID 154629735
2H-1,4-benzothiazine;methanesulfonic acid
CID 158178110
1,2-benzothiazepin-3-yl carbamate
CID 174157496
4H-benzo[c][1]benzazepine-3-carboxamide
CID 153324479
benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride
CID 19390613

Frequently Asked Questions

What is the IUPAC name of 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide?
The IUPAC name of 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide (CID 172745227) is 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide.
What is the SMILES notation for 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide?
The canonical SMILES for 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide is NC(=O)C1=CC=C2C=Nc3ccccc3SN2C1.
What is the InChIKey of 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide?
The InChIKey is JQAHMCVGCSIQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-13(17)9-5-6-10-7-15-11-3-1-2-4-12(11)18-16(10)8-9/h1-7H,8H2,(H2,14,17).
What are the key properties of 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide?
10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-pyrido[1,2-b][1,2,5]benzothiadiazepine-9-carboxamide is sourced from PubChem (CID 172745227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).