2-bromo-1,3-benzothiazole;hydrazine

C7H8BrN3S — CID 174709808

IUPAC2-bromo-1,3-benzothiazole;hydrazine
SMILESBrc1nc2ccccc2s1.NN
InChIInChI=1S/C7H4BrNS.H4N2/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1-4H;1-2H2
InChIKeyVHPYMPNQNFXTCZ-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.88
Rot. Bonds

About 2-bromo-1,3-benzothiazole;hydrazine

2-bromo-1,3-benzothiazole;hydrazine (PubChem CID 174709808) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-bromo-1,3-benzothiazole;hydrazine.

Molecular Properties

Compound Name2-bromo-1,3-benzothiazole;hydrazine
PubChem CID174709808
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name2-bromo-1,3-benzothiazole;hydrazine
SMILESBrc1nc2ccccc2s1.NN
InChIInChI=1S/C7H4BrNS.H4N2/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1-4H;1-2H2
InChIKeyVHPYMPNQNFXTCZ-UHFFFAOYSA-N
XLogP1.88
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
zinc 1,3-benzothiazole-2-thiolate
CID 25200224
5-(1,3-benzothiazol-2-yl)-2-bromoaniline
CID 762786
1,3-benzothiazol-2-ylmethanesulfonamide
CID 79818870
3-(1,3-benzothiazol-2-yl)-4-bromoaniline
CID 113281149
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
2-methyl-1,3-benzothiazole;urea
CID 161197769
bis(1,3-benzothiazol-2-amine);phosphoric acid
CID 175581696
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-ethyl-1,3-benzothiazole
CID 123878265

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-benzothiazole;hydrazine?
The IUPAC name of 2-bromo-1,3-benzothiazole;hydrazine (CID 174709808) is 2-bromo-1,3-benzothiazole;hydrazine.
What is the SMILES notation for 2-bromo-1,3-benzothiazole;hydrazine?
The canonical SMILES for 2-bromo-1,3-benzothiazole;hydrazine is Brc1nc2ccccc2s1.NN.
What is the InChIKey of 2-bromo-1,3-benzothiazole;hydrazine?
The InChIKey is VHPYMPNQNFXTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS.H4N2/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1-4H;1-2H2.
What are the key properties of 2-bromo-1,3-benzothiazole;hydrazine?
2-bromo-1,3-benzothiazole;hydrazine has a molecular weight of 246.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-benzothiazole;hydrazine is sourced from PubChem (CID 174709808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).