6-(2-methylpropyl)-1,3-benzothiazol-2-amine

C11H14N2S — CID 20771989

IUPAC6-(2-methylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H14N2S/c1-7(2)5-8-3-4-9-10(6-8)14-11(12)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyFYCDTLZRLZPCIS-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.08
Rot. Bonds2

About 6-(2-methylpropyl)-1,3-benzothiazol-2-amine

6-(2-methylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 20771989) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-1,3-benzothiazol-2-amine
PubChem CID20771989
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name6-(2-methylpropyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H14N2S/c1-7(2)5-8-3-4-9-10(6-8)14-11(12)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13)
InChIKeyFYCDTLZRLZPCIS-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
2,6-bis(2-methylpropyl)-1,3-benzothiazole
CID 58138489
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
2-[(2-amino-1,3-benzothiazol-6-yl)methyl]butanoic acid
CID 116999798
6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 102913455
N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65348571
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348376
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 114547126

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-methylpropyl)-1,3-benzothiazol-2-amine (CID 20771989) is 6-(2-methylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-methylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-methylpropyl)-1,3-benzothiazol-2-amine is CC(C)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(2-methylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is FYCDTLZRLZPCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7(2)5-8-3-4-9-10(6-8)14-11(12)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13).
What are the key properties of 6-(2-methylpropyl)-1,3-benzothiazol-2-amine?
6-(2-methylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 20771989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).