6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine

C10H9BrN2S — CID 45496579

IUPAC6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C10H9BrN2S/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyUPZGKHROVUGTTE-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.63
Rot. Bonds2

About 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine

6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine (PubChem CID 45496579) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
PubChem CID45496579
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C10H9BrN2S/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKeyUPZGKHROVUGTTE-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
CID 53379786
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
5-bromo-N-(1-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 43373632
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366
6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
CID 79524987
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine (CID 45496579) is 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine is Brc1ccc2nc(NC3CC3)sc2c1.
What is the InChIKey of 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine?
The InChIKey is UPZGKHROVUGTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-6-1-4-8-9(5-6)14-10(13-8)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13).
What are the key properties of 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine?
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine has a molecular weight of 269.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 45496579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).