5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine

C11H11BrN4O2S — CID 113387431

IUPAC5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(Br)cc2[N+](=O)[O-])s1
InChIInChI=1S/C11H11BrN4O2S/c1-6-4-14-11(19-6)7(2)15-10-9(16(17)18)3-8(12)5-13-10/h3-5,7H,1-2H3,(H,13,15)
InChIKeyNFDOKAUPIFVMDL-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine

5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 113387431) has the molecular formula C11H11BrN4O2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID113387431
Molecular FormulaC11H11BrN4O2S
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC Name5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(Br)cc2[N+](=O)[O-])s1
InChIInChI=1S/C11H11BrN4O2S/c1-6-4-14-11(19-6)7(2)15-10-9(16(17)18)3-8(12)5-13-10/h3-5,7H,1-2H3,(H,13,15)
InChIKeyNFDOKAUPIFVMDL-UHFFFAOYSA-N
XLogP3.69
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.69
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-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5-nitropyridin-2-amine
CID 112697264
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
5-bromo-4-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-nitroaniline
CID 116737291
N-[1-(4-aminophenyl)ethyl]-5-bromo-3-nitropyridin-2-amine
CID 116650532
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-nitroaniline
CID 115681229
5-bromo-N-(6-methylheptan-2-yl)-3-nitropyridin-2-amine
CID 63463823
5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
CID 66278508
N-[1-(3-bromophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66280699
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61480118

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine (CID 113387431) is 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine is Cc1cnc(C(C)Nc2ncc(Br)cc2[N+](=O)[O-])s1.
What is the InChIKey of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is NFDOKAUPIFVMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S/c1-6-4-14-11(19-6)7(2)15-10-9(16(17)18)3-8(12)5-13-10/h3-5,7H,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine?
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 343.21 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 113387431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).