N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine

C14H18N2S — CID 104655447

IUPACN-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
SMILESC=CCCC(C)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H18N2S/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3
InChIKeyXDMPGNILEUWRCK-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.37
Rot. Bonds5

About N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine

N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 104655447) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
PubChem CID104655447
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
SMILESC=CCCC(C)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C14H18N2S/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3
InChIKeyXDMPGNILEUWRCK-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
CID 143666508
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine (CID 104655447) is N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine is C=CCCC(C)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is XDMPGNILEUWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3.
What are the key properties of N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine?
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 246.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 104655447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).