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

C11H12N4O2S — CID 55081127

IUPAC3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1ncc(CNc2ncc([N+](=O)[O-])cc2C)s1
InChIInChI=1S/C11H12N4O2S/c1-7-3-9(15(16)17)4-13-11(7)14-6-10-5-12-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyAHPYWEIQSDCTDS-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.68
Rot. Bonds4

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

3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 55081127) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
PubChem CID55081127
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1ncc(CNc2ncc([N+](=O)[O-])cc2C)s1
InChIInChI=1S/C11H12N4O2S/c1-7-3-9(15(16)17)4-13-11(7)14-6-10-5-12-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyAHPYWEIQSDCTDS-UHFFFAOYSA-N
XLogP2.68
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.68
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

2,6-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 104917275
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
CID 113234160
1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-3-amine
CID 103079786
N-[[4-(difluoromethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 133474672
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 62950842
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 82238110
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80808195
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine (CID 55081127) is 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine is Cc1ncc(CNc2ncc([N+](=O)[O-])cc2C)s1.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is AHPYWEIQSDCTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-3-9(15(16)17)4-13-11(7)14-6-10-5-12-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine?
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 55081127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).