N-(2-methylpentyl)-1,3-benzothiazol-6-amine

C13H18N2S — CID 107803861

IUPACN-(2-methylpentyl)-1,3-benzothiazol-6-amine
SMILESCCCC(C)CNc1ccc2ncsc2c1
InChIInChI=1S/C13H18N2S/c1-3-4-10(2)8-14-11-5-6-12-13(7-11)16-9-15-12/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKeyPBCOLRFBWAOMBN-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.14
Rot. Bonds5

About N-(2-methylpentyl)-1,3-benzothiazol-6-amine

N-(2-methylpentyl)-1,3-benzothiazol-6-amine (PubChem CID 107803861) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-methylpentyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-methylpentyl)-1,3-benzothiazol-6-amine
PubChem CID107803861
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-methylpentyl)-1,3-benzothiazol-6-amine
SMILESCCCC(C)CNc1ccc2ncsc2c1
InChIInChI=1S/C13H18N2S/c1-3-4-10(2)8-14-11-5-6-12-13(7-11)16-9-15-12/h5-7,9-10,14H,3-4,8H2,1-2H3
InChIKeyPBCOLRFBWAOMBN-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine
CID 134342554
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 107804842
6-methyl-N-[(2R)-2-methylpentyl]pyridin-3-amine
CID 96903071
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
CID 107804707
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-methylpentyl)-1,3-benzothiazol-6-amine (CID 107803861) is N-(2-methylpentyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-methylpentyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-methylpentyl)-1,3-benzothiazol-6-amine is CCCC(C)CNc1ccc2ncsc2c1.
What is the InChIKey of N-(2-methylpentyl)-1,3-benzothiazol-6-amine?
The InChIKey is PBCOLRFBWAOMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-4-10(2)8-14-11-5-6-12-13(7-11)16-9-15-12/h5-7,9-10,14H,3-4,8H2,1-2H3.
What are the key properties of N-(2-methylpentyl)-1,3-benzothiazol-6-amine?
N-(2-methylpentyl)-1,3-benzothiazol-6-amine has a molecular weight of 234.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).