N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine

C10H11ClN2S — CID 63392267

IUPACN-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(CCCl)c1nc2ccccc2s1
InChIInChI=1S/C10H11ClN2S/c1-13(7-6-11)10-12-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3
InChIKeyBCAOYRJOWVTIIL-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.97
Rot. Bonds3

About N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine

N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 63392267) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
PubChem CID63392267
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC NameN-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCN(CCCl)c1nc2ccccc2s1
InChIInChI=1S/C10H11ClN2S/c1-13(7-6-11)10-12-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3
InChIKeyBCAOYRJOWVTIIL-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.97
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-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 107489824
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 145410692
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propan-1-ol
CID 61146234

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine (CID 63392267) is N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine is CN(CCCl)c1nc2ccccc2s1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is BCAOYRJOWVTIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-13(7-6-11)10-12-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine?
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63392267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).