4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide

C18H16N4O4S — CID 31519461

IUPAC4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O4S/c1-3-26-15-8-7-12(10-14(15)22(24)25)17(23)21-18-20-11(2)16(27-18)13-6-4-5-9-19-13/h4-10H,3H2,1-2H3,(H,20,21,23)
InChIKeyLIXCSHNMEXHBSW-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.07
Rot. Bonds6

About 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide

4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide (PubChem CID 31519461) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
PubChem CID31519461
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O4S/c1-3-26-15-8-7-12(10-14(15)22(24)25)17(23)21-18-20-11(2)16(27-18)13-6-4-5-9-19-13/h4-10H,3H2,1-2H3,(H,20,21,23)
InChIKeyLIXCSHNMEXHBSW-UHFFFAOYSA-N
XLogP4.07
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-amino-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31154743
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46511812
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46493268
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5132858
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31153670

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide (CID 31519461) is 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide is CCOc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The InChIKey is LIXCSHNMEXHBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-3-26-15-8-7-12(10-14(15)22(24)25)17(23)21-18-20-11(2)16(27-18)13-6-4-5-9-19-13/h4-10H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide?
4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide has a molecular weight of 384.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 31519461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).