7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C13H13N3OS — CID 14459587

IUPAC7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1
InChIInChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)9-4-5-10-8(6-9)2-1-3-12(17)15-10/h4-7H,1-3H2,(H2,14,16)(H,15,17)
InChIKeyQXOUAQYJNTXFCQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.67
Rot. Bonds1

About 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 14459587) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID14459587
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1
InChIInChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)9-4-5-10-8(6-9)2-1-3-12(17)15-10/h4-7H,1-3H2,(H2,14,16)(H,15,17)
InChIKeyQXOUAQYJNTXFCQ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 14459587) is 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is Nc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is QXOUAQYJNTXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)9-4-5-10-8(6-9)2-1-3-12(17)15-10/h4-7H,1-3H2,(H2,14,16)(H,15,17).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 259.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1,3-thiazol-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 14459587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).