4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C17H16N4O2S — CID 133329713

IUPAC4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NC(C)c2nc(-c3ccccc3)cs2)ncc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O2S/c1-11-8-16(18-9-15(11)21(22)23)19-12(2)17-20-14(10-24-17)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyTULMBGVYZOSUAR-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.59
Rot. Bonds5

About 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 133329713) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID133329713
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1cc(NC(C)c2nc(-c3ccccc3)cs2)ncc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O2S/c1-11-8-16(18-9-15(11)21(22)23)19-12(2)17-20-14(10-24-17)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyTULMBGVYZOSUAR-UHFFFAOYSA-N
XLogP4.59
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.59
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

4-methyl-5-nitro-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
CID 133365275
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79173859
4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79176131
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133329346
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 133329195
2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine
CID 133329292
2-[1-(3-methyl-4-nitroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374706
4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 79174122
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-methyl-4-nitroaniline
CID 133292536
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 133329713) is 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is Cc1cc(NC(C)c2nc(-c3ccccc3)cs2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is TULMBGVYZOSUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-8-16(18-9-15(11)21(22)23)19-12(2)17-20-14(10-24-17)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 340.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133329713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).