2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine

C16H14N4O2S — CID 90804600

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine
SMILESNc1nc(NC2COc3ccccc3O2)sc1-c1ccccn1
InChIInChI=1S/C16H14N4O2S/c17-15-14(10-5-3-4-8-18-10)23-16(20-15)19-13-9-21-11-6-1-2-7-12(11)22-13/h1-8,13H,9,17H2,(H,19,20)
InChIKeyPXHWDOFLRRJGIJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.00
Rot. Bonds3

About 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine

2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine (PubChem CID 90804600) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine
PubChem CID90804600
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine
SMILESNc1nc(NC2COc3ccccc3O2)sc1-c1ccccn1
InChIInChI=1S/C16H14N4O2S/c17-15-14(10-5-3-4-8-18-10)23-16(20-15)19-13-9-21-11-6-1-2-7-12(11)22-13/h1-8,13H,9,17H2,(H,19,20)
InChIKeyPXHWDOFLRRJGIJ-UHFFFAOYSA-N
XLogP3.00
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine 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

2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369
2-methyl-5-pyridin-2-yl-1,3-thiazol-4-amine
CID 82373528
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 65350710
2,3-dihydro-1,4-benzodioxin-3-ylthiourea
CID 90944583
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-pyridin-2-ylacetamide
CID 969642
4-(furan-2-yl)-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 23144699
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] pyridine-2-carboxylate
CID 18171369
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
3-(4-amino-2-anilino-1,3-thiazol-5-yl)pyridine-2-carbaldehyde
CID 87217261

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine (CID 90804600) is 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine is Nc1nc(NC2COc3ccccc3O2)sc1-c1ccccn1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine?
The InChIKey is PXHWDOFLRRJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-15-14(10-5-3-4-8-18-10)23-16(20-15)19-13-9-21-11-6-1-2-7-12(11)22-13/h1-8,13H,9,17H2,(H,19,20).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine?
2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyridin-2-yl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 90804600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).