6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine

C14H21N3S — CID 65348699

IUPAC6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCCCCN(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C14H21N3S/c1-3-4-5-8-17(2)10-11-6-7-12-13(9-11)18-14(15)16-12/h6-7,9H,3-5,8,10H2,1-2H3,(H2,15,16)
InChIKeyINRLZFSDRYPZRP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.50
Rot. Bonds6

About 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine

6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348699) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348699
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCCCCN(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C14H21N3S/c1-3-4-5-8-17(2)10-11-6-7-12-13(9-11)18-14(15)16-12/h6-7,9H,3-5,8,10H2,1-2H3,(H2,15,16)
InChIKeyINRLZFSDRYPZRP-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
CID 65348846
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
CID 65348896
N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65348571
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]pentanamide;dodecane
CID 143717126
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348426
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine (CID 65348699) is 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine is CCCCCN(C)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is INRLZFSDRYPZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-4-5-8-17(2)10-11-6-7-12-13(9-11)18-14(15)16-12/h6-7,9H,3-5,8,10H2,1-2H3,(H2,15,16).
What are the key properties of 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine?
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).