N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine

C15H12N4O2S — CID 67997202

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine
SMILESCc1nc(-c2ccc(Nc3cccc([N+](=O)[O-])n3)cc2)cs1
InChIInChI=1S/C15H12N4O2S/c1-10-16-13(9-22-10)11-5-7-12(8-6-11)17-14-3-2-4-15(18-14)19(20)21/h2-9H,1H3,(H,17,18)
InChIKeyADRSTEUBPMHPGP-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine (PubChem CID 67997202) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine
PubChem CID67997202
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine
SMILESCc1nc(-c2ccc(Nc3cccc([N+](=O)[O-])n3)cc2)cs1
InChIInChI=1S/C15H12N4O2S/c1-10-16-13(9-22-10)11-5-7-12(8-6-11)17-14-3-2-4-15(18-14)19(20)21/h2-9H,1H3,(H,17,18)
InChIKeyADRSTEUBPMHPGP-UHFFFAOYSA-N
XLogP4.17
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.17
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-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995901
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772038
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 108727304
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
1-methyl-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[1-(3-nitrophenyl)ethyl]urea
CID 55698741
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
2-N-[4-[2-(dipropylamino)-1,3-thiazol-4-yl]phenyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 67995355
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
CID 2776589
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine (CID 67997202) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine is Cc1nc(-c2ccc(Nc3cccc([N+](=O)[O-])n3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine?
The InChIKey is ADRSTEUBPMHPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10-16-13(9-22-10)11-5-7-12(8-6-11)17-14-3-2-4-15(18-14)19(20)21/h2-9H,1H3,(H,17,18).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine is sourced from PubChem (CID 67997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).