N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine

C13H18N2S — CID 107804012

IUPACN-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
SMILESCCC(Nc1ccc2ncsc2c1)C(C)C
InChIInChI=1S/C13H18N2S/c1-4-11(9(2)3)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,4H2,1-3H3
InChIKeyQFLMCTPUXSTJCL-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.14
Rot. Bonds4

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

N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine (PubChem CID 107804012) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
PubChem CID107804012
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
SMILESCCC(Nc1ccc2ncsc2c1)C(C)C
InChIInChI=1S/C13H18N2S/c1-4-11(9(2)3)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,4H2,1-3H3
InChIKeyQFLMCTPUXSTJCL-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
CID 115929163
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
2-[1-(1,3-benzothiazol-6-ylamino)propyl]-4-bromophenol
CID 107803859
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
CID 103936360
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine (CID 107804012) is N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine is CCC(Nc1ccc2ncsc2c1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine?
The InChIKey is QFLMCTPUXSTJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-4-11(9(2)3)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,4H2,1-3H3.
What are the key properties of N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine?
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine has a molecular weight of 234.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107804012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).