N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine

C13H10BrN3S — CID 107801119

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
SMILESCc1cc(Nc2ccc3ncsc3c2)ncc1Br
InChIInChI=1S/C13H10BrN3S/c1-8-4-13(15-6-10(8)14)17-9-2-3-11-12(5-9)18-7-16-11/h2-7H,1H3,(H,15,17)
InChIKeyBPKDSHYPLLSHRH-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.51
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine

N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine (PubChem CID 107801119) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
PubChem CID107801119
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
SMILESCc1cc(Nc2ccc3ncsc3c2)ncc1Br
InChIInChI=1S/C13H10BrN3S/c1-8-4-13(15-6-10(8)14)17-9-2-3-11-12(5-9)18-7-16-11/h2-7H,1H3,(H,15,17)
InChIKeyBPKDSHYPLLSHRH-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115147001
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
5-N-(5-bromo-4-methyl-2-pyridinyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 155298292
5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
CID 114252835
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
CID 115146959

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine (CID 107801119) is N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine is Cc1cc(Nc2ccc3ncsc3c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine?
The InChIKey is BPKDSHYPLLSHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-8-4-13(15-6-10(8)14)17-9-2-3-11-12(5-9)18-7-16-11/h2-7H,1H3,(H,15,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine?
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine has a molecular weight of 320.22 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107801119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).