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

C15H19N3O2S — CID 107510701

IUPAC[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCOc3ccccc32)sc1CN
InChIInChI=1S/C15H19N3O2S/c1-19-10-11-14(9-16)21-15(17-11)18-7-4-8-20-13-6-3-2-5-12(13)18/h2-3,5-6H,4,7-10,16H2,1H3
InChIKeyUATUUMXOXTWJAX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds4

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

[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510701) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510701
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCOc3ccccc32)sc1CN
InChIInChI=1S/C15H19N3O2S/c1-19-10-11-14(9-16)21-15(17-11)18-7-4-8-20-13-6-3-2-5-12(13)18/h2-3,5-6H,4,7-10,16H2,1H3
InChIKeyUATUUMXOXTWJAX-UHFFFAOYSA-N
XLogP2.67
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 107510701) is [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCCOc3ccccc32)sc1CN.
What is the InChIKey of [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is UATUUMXOXTWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-19-10-11-14(9-16)21-15(17-11)18-7-4-8-20-13-6-3-2-5-12(13)18/h2-3,5-6H,4,7-10,16H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 305.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).