5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine

C17H15BrN2S — CID 63547158

IUPAC5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2sc(NC3CCCc4ccccc43)nc2c1
InChIInChI=1S/C17H15BrN2S/c18-12-8-9-16-15(10-12)20-17(21-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,19,20)
InChIKeyFWHPXGNFTDITBB-UHFFFAOYSA-N
MW359.29 g/mol
LogP5.55
Rot. Bonds2

About 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine (PubChem CID 63547158) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
PubChem CID63547158
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
SMILESBrc1ccc2sc(NC3CCCc4ccccc43)nc2c1
InChIInChI=1S/C17H15BrN2S/c18-12-8-9-16-15(10-12)20-17(21-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,19,20)
InChIKeyFWHPXGNFTDITBB-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 78908767
1-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650362
4-bromo-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 43746242
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133366101
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)quinolin-2-amine
CID 68914486
5-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzenecarbothioamide
CID 114891692
N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63425782
5-bromo-3,6-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 22147500
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919680

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine (CID 63547158) is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine is Brc1ccc2sc(NC3CCCc4ccccc43)nc2c1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
The InChIKey is FWHPXGNFTDITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c18-12-8-9-16-15(10-12)20-17(21-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,19,20).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine?
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine has a molecular weight of 359.29 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).