4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine

C14H17N3OS — CID 65483300

IUPAC4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCOc3ccccc3C2)cs1
InChIInChI=1S/C14H17N3OS/c15-14-16-12(10-19-14)5-6-17-7-8-18-13-4-2-1-3-11(13)9-17/h1-4,10H,5-9H2,(H2,15,16)
InChIKeyGBHOTFMRPZYKKP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.16
Rot. Bonds3

About 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine

4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 65483300) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID65483300
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCN2CCOc3ccccc3C2)cs1
InChIInChI=1S/C14H17N3OS/c15-14-16-12(10-19-14)5-6-17-7-8-18-13-4-2-1-3-11(13)9-17/h1-4,10H,5-9H2,(H2,15,16)
InChIKeyGBHOTFMRPZYKKP-UHFFFAOYSA-N
XLogP2.16
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine (CID 65483300) is 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCN2CCOc3ccccc3C2)cs1.
What is the InChIKey of 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GBHOTFMRPZYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-14-16-12(10-19-14)5-6-17-7-8-18-13-4-2-1-3-11(13)9-17/h1-4,10H,5-9H2,(H2,15,16).
What are the key properties of 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine?
4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65483300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).