N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine

C15H19BrN2S — CID 80675483

IUPACN-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESBrCCN(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C15H19BrN2S/c16-10-11-18(12-6-2-1-3-7-12)15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyBJBVYAKOHOIKQX-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.83
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine

N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 80675483) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID80675483
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESBrCCN(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C15H19BrN2S/c16-10-11-18(12-6-2-1-3-7-12)15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyBJBVYAKOHOIKQX-UHFFFAOYSA-N
XLogP4.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
N-(1,3-benzothiazol-2-ylmethyl)-N-(2-chloroethyl)cyclohexanamine
CID 104631988
N-(2-bromoethyl)-N-cyclohexylcinnolin-4-amine
CID 80676406
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
CID 174554067

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 80675483) is N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine is BrCCN(c1nc2ccccc2s1)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is BJBVYAKOHOIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c16-10-11-18(12-6-2-1-3-7-12)15-17-13-8-4-5-9-14(13)19-15/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine?
N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 80675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).