1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C15H19N3OS — CID 63193091

IUPAC1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCOc3ccccc3C2)cs1
InChIInChI=1S/C15H19N3OS/c1-16-8-15-17-13(11-20-15)10-18-6-7-19-14-5-3-2-4-12(14)9-18/h2-5,11,16H,6-10H2,1H3
InChIKeyWORRBDPVHXDPFK-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 63193091) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID63193091
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCOc3ccccc3C2)cs1
InChIInChI=1S/C15H19N3OS/c1-16-8-15-17-13(11-20-15)10-18-6-7-19-14-5-3-2-4-12(14)9-18/h2-5,11,16H,6-10H2,1H3
InChIKeyWORRBDPVHXDPFK-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55847157
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 63193354
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N,6-dimethylpyrimidin-4-amine
CID 80657443
4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 65483300
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 63192911
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62462682
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 63024819
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine
CID 63193252
N,N-diethyl-1-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine
CID 63166798
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107380160
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62439479

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 63193091) is 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(CN2CCOc3ccccc3C2)cs1.
What is the InChIKey of 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is WORRBDPVHXDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-16-8-15-17-13(11-20-15)10-18-6-7-19-14-5-3-2-4-12(14)9-18/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).