3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine

C9H7BrN4O2S — CID 113428793

IUPAC3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cncc(Br)c1NCc1cncs1
InChIInChI=1S/C9H7BrN4O2S/c10-7-3-11-4-8(14(15)16)9(7)13-2-6-1-12-5-17-6/h1,3-5H,2H2,(H,11,13)
InChIKeyFNXFWXXXNHLFSC-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.82
Rot. Bonds4

About 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine

3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine (PubChem CID 113428793) has the molecular formula C9H7BrN4O2S and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
PubChem CID113428793
Molecular FormulaC9H7BrN4O2S
Molecular Weight315.15 g/mol
Exact Mass313.95
IUPAC Name3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cncc(Br)c1NCc1cncs1
InChIInChI=1S/C9H7BrN4O2S/c10-7-3-11-4-8(14(15)16)9(7)13-2-6-1-12-5-17-6/h1,3-5H,2H2,(H,11,13)
InChIKeyFNXFWXXXNHLFSC-UHFFFAOYSA-N
XLogP2.82
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.82
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

3-bromo-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-4-amine
CID 113343653
3-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-nitropyridin-4-amine
CID 114128057
3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 104577455
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-bromo-5-nitropyridin-4-amine
CID 103519650
4-[[(3-bromo-5-nitro-4-pyridinyl)amino]methyl]benzoic acid
CID 103518872
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 103877965
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 103877986
N'-(3-bromo-5-nitro-4-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 103519567
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 113428729

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine (CID 113428793) is 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine is O=[N+]([O-])c1cncc(Br)c1NCc1cncs1.
What is the InChIKey of 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
The InChIKey is FNXFWXXXNHLFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2S/c10-7-3-11-4-8(14(15)16)9(7)13-2-6-1-12-5-17-6/h1,3-5H,2H2,(H,11,13).
What are the key properties of 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine?
3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine has a molecular weight of 315.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 113428793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).