N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

C9H7BrN4O2S — CID 61373220

IUPACN-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C9H7BrN4O2S/c1-5-4-17-9(12-5)13-8-7(14(15)16)2-6(10)3-11-8/h2-4H,1H3,(H,11,12,13)
InChIKeyBXIALIRQSKPGIJ-UHFFFAOYSA-N
MW315.15 g/mol
LogP3.26
Rot. Bonds3

About N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 61373220) has the molecular formula C9H7BrN4O2S and a molecular weight of 315.15 g/mol. Its IUPAC name is N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID61373220
Molecular FormulaC9H7BrN4O2S
Molecular Weight315.15 g/mol
Exact Mass313.95
IUPAC NameN-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C9H7BrN4O2S/c1-5-4-17-9(12-5)13-8-7(14(15)16)2-6(10)3-11-8/h2-4H,1H3,(H,11,12,13)
InChIKeyBXIALIRQSKPGIJ-UHFFFAOYSA-N
XLogP3.26
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
5-bromo-N-(4-bromophenyl)-3-nitropyridin-2-amine
CID 63462190
5-bromo-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375081
5-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbenzoic acid
CID 63652651
4-[(5-bromo-3-nitro-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107793116
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
5-bromo-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 61375655
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine
CID 113387431
5-bromo-N-[(3-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903272
5-bromo-N-(2,4-difluorophenyl)-3-nitropyridin-2-amine
CID 61375850

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 61373220) is N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BXIALIRQSKPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2S/c1-5-4-17-9(12-5)13-8-7(14(15)16)2-6(10)3-11-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 315.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 61373220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).