8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine

C16H23N3OS — CID 10780928

IUPAC8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine
SMILESCCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
InChIInChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
InChIKeyDSJQTHADLDMTRA-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.30
Rot. Bonds5

About 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine

8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine (PubChem CID 10780928) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine.

Molecular Properties

Compound Name8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine
PubChem CID10780928
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine
SMILESCCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
InChIInChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
InChIKeyDSJQTHADLDMTRA-UHFFFAOYSA-N
XLogP3.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine?
The IUPAC name of 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine (CID 10780928) is 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine.
What is the SMILES notation for 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine?
The canonical SMILES for 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine is CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1.
What is the InChIKey of 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine?
The InChIKey is DSJQTHADLDMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18).
What are the key properties of 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine?
8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N-dipropyl-8,9-dihydro-7H-pyrano[2,3-g][1,3]benzothiazole-2,8-diamine is sourced from PubChem (CID 10780928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).