5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine

C14H19N3OS — CID 63725605

IUPAC5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine
SMILESCN(CC1CCOCC1)c1ccc2scnc2c1N
InChIInChI=1S/C14H19N3OS/c1-17(8-10-4-6-18-7-5-10)11-2-3-12-14(13(11)15)16-9-19-12/h2-3,9-10H,4-8,15H2,1H3
InChIKeyLZISKMMGCWKBSM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.74
Rot. Bonds3

About 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine

5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 63725605) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine
PubChem CID63725605
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine
SMILESCN(CC1CCOCC1)c1ccc2scnc2c1N
InChIInChI=1S/C14H19N3OS/c1-17(8-10-4-6-18-7-5-10)11-2-3-12-14(13(11)15)16-9-19-12/h2-3,9-10H,4-8,15H2,1H3
InChIKeyLZISKMMGCWKBSM-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-(cyclobutylmethyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62861479
5-N-methyl-5-N-propyl-1,3-benzothiazole-4,5-diamine
CID 43451418
5-N-(4-ethylcyclohexyl)-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 63403100
5-(oxolan-3-ylmethoxy)-1,3-benzothiazol-4-amine
CID 54976846
5-N-cyclopropyl-5-N-ethyl-1,3-benzothiazole-4,5-diamine
CID 43451401
2-[(4-amino-1,3-benzothiazol-5-yl)-methylamino]acetamide
CID 43451444
5-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazole-4,5-diamine
CID 114129613
5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-4,5-diamine
CID 43563381
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 78948266
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
N-methyl-4-nitro-N-(piperidin-3-ylmethyl)-1,3-benzothiazol-5-amine
CID 106642823
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine (CID 63725605) is 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine is CN(CC1CCOCC1)c1ccc2scnc2c1N.
What is the InChIKey of 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is LZISKMMGCWKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(8-10-4-6-18-7-5-10)11-2-3-12-14(13(11)15)16-9-19-12/h2-3,9-10H,4-8,15H2,1H3.
What are the key properties of 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine?
5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 277.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(oxan-4-ylmethyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 63725605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).