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

C15H22N2S — CID 79143180

IUPACN-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCCC(CC)C(C)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C15H22N2S/c1-5-12(6-2)11(4)16-15-17-13-8-7-10(3)9-14(13)18-15/h7-9,11-12H,5-6H2,1-4H3,(H,16,17)
InChIKeyRIDNDDDAMOZOKM-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.84
Rot. Bonds5

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

N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79143180) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79143180
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCCC(CC)C(C)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C15H22N2S/c1-5-12(6-2)11(4)16-15-17-13-8-7-10(3)9-14(13)18-15/h7-9,11-12H,5-6H2,1-4H3,(H,16,17)
InChIKeyRIDNDDDAMOZOKM-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine (CID 79143180) is N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine is CCC(CC)C(C)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is RIDNDDDAMOZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-5-12(6-2)11(4)16-15-17-13-8-7-10(3)9-14(13)18-15/h7-9,11-12H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).