N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine

C13H16N4O3S — CID 115682000

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1cnc(C(C)Nc2nc(OC)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C13H16N4O3S/c1-4-9-7-14-13(21-9)8(2)15-12-10(17(18)19)5-6-11(16-12)20-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyHQRXRFNLCPAEJS-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.19
Rot. Bonds6

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 115682000) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID115682000
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1cnc(C(C)Nc2nc(OC)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C13H16N4O3S/c1-4-9-7-14-13(21-9)8(2)15-12-10(17(18)19)5-6-11(16-12)20-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyHQRXRFNLCPAEJS-UHFFFAOYSA-N
XLogP3.19
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 71976838
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-3-nitrobenzonitrile
CID 115681183
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 79883840

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine (CID 115682000) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine is CCc1cnc(C(C)Nc2nc(OC)ccc2[N+](=O)[O-])s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is HQRXRFNLCPAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-4-9-7-14-13(21-9)8(2)15-12-10(17(18)19)5-6-11(16-12)20-3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 308.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 115682000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).