6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine

C16H13BrN2S — CID 79524987

IUPAC6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC3c3ccccc3)sc2c1
InChIInChI=1S/C16H13BrN2S/c17-11-6-7-13-15(8-11)20-16(18-13)19-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,18,19)
InChIKeyGDVWKKRBYCPGBG-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.03
Rot. Bonds3

About 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine

6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine (PubChem CID 79524987) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
PubChem CID79524987
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NC3CC3c3ccccc3)sc2c1
InChIInChI=1S/C16H13BrN2S/c17-11-6-7-13-15(8-11)20-16(18-13)19-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,18,19)
InChIKeyGDVWKKRBYCPGBG-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
trans-(1R,2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 742465
(1S,2R,4S)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7117228
(1R,2R,4R)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6974886
6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
CID 83017969
6-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528435

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine (CID 79524987) is 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine is Brc1ccc2nc(NC3CC3c3ccccc3)sc2c1.
What is the InChIKey of 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine?
The InChIKey is GDVWKKRBYCPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-11-6-7-13-15(8-11)20-16(18-13)19-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,18,19).
What are the key properties of 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine has a molecular weight of 345.27 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79524987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).