4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide

C13H14N4O3S — CID 26362764

IUPAC4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c1-3-14-10-5-4-9(6-11(10)17(19)20)12(18)16-13-15-8(2)7-21-13/h4-7,14H,3H2,1-2H3,(H,15,16,18)
InChIKeyKNRNXEULLNHROQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.04
Rot. Bonds5

About 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide

4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide (PubChem CID 26362764) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
PubChem CID26362764
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c1-3-14-10-5-4-9(6-11(10)17(19)20)12(18)16-13-15-8(2)7-21-13/h4-7,14H,3H2,1-2H3,(H,15,16,18)
InChIKeyKNRNXEULLNHROQ-UHFFFAOYSA-N
XLogP3.04
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-(ethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115666689
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
4-(ethylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623814
N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide
CID 62180552
4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 26087424
N-(4-methyl-1,3-thiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 26362821
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)-3-nitrobenzamide
CID 8747800
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
4-(ethylamino)-3-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579379
ethyl 2-[2-[(4-anilino-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 17481677
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 4592752

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide (CID 26362764) is 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide is CCNc1ccc(C(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The InChIKey is KNRNXEULLNHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-3-14-10-5-4-9(6-11(10)17(19)20)12(18)16-13-15-8(2)7-21-13/h4-7,14H,3H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide has a molecular weight of 306.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 26362764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).