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

C13H18N2OS — CID 79143101

IUPACN-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCCC(COC)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2OS/c1-4-10(8-16-3)14-13-15-11-6-5-9(2)7-12(11)17-13/h5-7,10H,4,8H2,1-3H3,(H,14,15)
InChIKeyOOQJPWFRTKHMEE-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.44
Rot. Bonds5

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

N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79143101) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79143101
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCCC(COC)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2OS/c1-4-10(8-16-3)14-13-15-11-6-5-9(2)7-12(11)17-13/h5-7,10H,4,8H2,1-3H3,(H,14,15)
InChIKeyOOQJPWFRTKHMEE-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
N-[diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 3875715
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide
CID 110676125

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine (CID 79143101) is N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine is CCC(COC)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is OOQJPWFRTKHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-10(8-16-3)14-13-15-11-6-5-9(2)7-12(11)17-13/h5-7,10H,4,8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine?
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).