N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine

C9H5BrN4S2 — CID 107800236

IUPACN-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
SMILESBrc1nnc(Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C9H5BrN4S2/c10-8-13-14-9(16-8)12-5-1-2-6-7(3-5)15-4-11-6/h1-4H,(H,12,14)
InChIKeyOHLUNNNSLHGJDZ-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.65
Rot. Bonds2

About N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine

N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 107800236) has the molecular formula C9H5BrN4S2 and a molecular weight of 313.21 g/mol. Its IUPAC name is N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
PubChem CID107800236
Molecular FormulaC9H5BrN4S2
Molecular Weight313.21 g/mol
Exact Mass311.91
IUPAC NameN-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
SMILESBrc1nnc(Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C9H5BrN4S2/c10-8-13-14-9(16-8)12-5-1-2-6-7(3-5)15-4-11-6/h1-4H,(H,12,14)
InChIKeyOHLUNNNSLHGJDZ-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-6-ylamino)benzenecarbothioamide
CID 107806262
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
CID 107800218
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
2-(1,3-benzothiazol-6-ylamino)-4-bromobenzenecarbothioamide
CID 107806302
5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 107615031
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
N-(4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840853
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine (CID 107800236) is N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine is Brc1nnc(Nc2ccc3ncsc3c2)s1.
What is the InChIKey of N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is OHLUNNNSLHGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4S2/c10-8-13-14-9(16-8)12-5-1-2-6-7(3-5)15-4-11-6/h1-4H,(H,12,14).
What are the key properties of N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine?
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 313.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107800236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).