N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine

C12H8BrN3S — CID 61375649

IUPACN-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine
SMILESBrc1cccnc1Nc1nc2ccccc2s1
InChIInChI=1S/C12H8BrN3S/c13-8-4-3-7-14-11(8)16-12-15-9-5-1-2-6-10(9)17-12/h1-7H,(H,14,15,16)
InChIKeyHSANXNCAAPMPNX-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.20
Rot. Bonds2

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

N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 61375649) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID61375649
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC NameN-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine
SMILESBrc1cccnc1Nc1nc2ccccc2s1
InChIInChI=1S/C12H8BrN3S/c13-8-4-3-7-14-11(8)16-12-15-9-5-1-2-6-10(9)17-12/h1-7H,(H,14,15,16)
InChIKeyHSANXNCAAPMPNX-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 175655892
4-N-(1,3-benzothiazol-2-yl)-6-N-(2-chloro-3-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22528610
4-N-(1,3-benzothiazol-2-yl)-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145540
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808
N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
CID 54960658
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 175858894
N'-(1,3-benzothiazol-2-yl)-N-pyrimidin-2-ylpropane-1,3-diamine
CID 47370704

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine (CID 61375649) is N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine is Brc1cccnc1Nc1nc2ccccc2s1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is HSANXNCAAPMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-8-4-3-7-14-11(8)16-12-15-9-5-1-2-6-10(9)17-12/h1-7H,(H,14,15,16).
What are the key properties of N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine?
N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 306.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 61375649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).