6-methyl-N-pentyl-1,3-benzothiazol-2-amine

C13H18N2S — CID 79142327

IUPAC6-methyl-N-pentyl-1,3-benzothiazol-2-amine
SMILESCCCCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S/c1-3-4-5-8-14-13-15-11-7-6-10(2)9-12(11)16-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyYTRANMSJAALRDV-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.21
Rot. Bonds5

About 6-methyl-N-pentyl-1,3-benzothiazol-2-amine

6-methyl-N-pentyl-1,3-benzothiazol-2-amine (PubChem CID 79142327) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 6-methyl-N-pentyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-pentyl-1,3-benzothiazol-2-amine
PubChem CID79142327
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name6-methyl-N-pentyl-1,3-benzothiazol-2-amine
SMILESCCCCCNc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2S/c1-3-4-5-8-14-13-15-11-7-6-10(2)9-12(11)16-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyYTRANMSJAALRDV-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N'-(6-decyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 169298591
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pentyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-pentyl-1,3-benzothiazol-2-amine (CID 79142327) is 6-methyl-N-pentyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-pentyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-pentyl-1,3-benzothiazol-2-amine is CCCCCNc1nc2ccc(C)cc2s1.
What is the InChIKey of 6-methyl-N-pentyl-1,3-benzothiazol-2-amine?
The InChIKey is YTRANMSJAALRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-4-5-8-14-13-15-11-7-6-10(2)9-12(11)16-13/h6-7,9H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-N-pentyl-1,3-benzothiazol-2-amine?
6-methyl-N-pentyl-1,3-benzothiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pentyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).