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

C12H14N4O2S — CID 103780073

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
SMILESCCc1cnc(CNc2nc(C)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H14N4O2S/c1-3-9-6-13-11(19-9)7-14-12-10(16(17)18)5-4-8(2)15-12/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyKCZCCEYUAMLIAD-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.93
Rot. Bonds5

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine (PubChem CID 103780073) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
PubChem CID103780073
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
SMILESCCc1cnc(CNc2nc(C)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H14N4O2S/c1-3-9-6-13-11(19-9)7-14-12-10(16(17)18)5-4-8(2)15-12/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyKCZCCEYUAMLIAD-UHFFFAOYSA-N
XLogP2.93
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.93
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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-4-amine
CID 103704513
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 133326051
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80808195
6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114700820
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 103701893
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81136342
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103704512
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine (CID 103780073) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine is CCc1cnc(CNc2nc(C)ccc2[N+](=O)[O-])s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine?
The InChIKey is KCZCCEYUAMLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-9-6-13-11(19-9)7-14-12-10(16(17)18)5-4-8(2)15-12/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103780073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).