4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C16H13N3O4S2 — CID 4610723

IUPAC4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-2-23-12-5-3-10(4-6-12)15(20)18-16-17-13(9-25-16)14-7-11(8-24-14)19(21)22/h3-9H,2H2,1H3,(H,17,18,20)
InChIKeyMHYZREVQSNVHMG-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.43
Rot. Bonds6

About 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4610723) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID4610723
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC Name4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1
InChIInChI=1S/C16H13N3O4S2/c1-2-23-12-5-3-10(4-6-12)15(20)18-16-17-13(9-25-16)14-7-11(8-24-14)19(21)22/h3-9H,2H2,1H3,(H,17,18,20)
InChIKeyMHYZREVQSNVHMG-UHFFFAOYSA-N
XLogP4.43
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.43
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-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 19177611
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3621428
N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4071488
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 121044362
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18900090
2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7243954
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
[(2R)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 40898250
2-(4-ethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 4300165
4-cyano-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916270

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 4610723) is 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MHYZREVQSNVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-2-23-12-5-3-10(4-6-12)15(20)18-16-17-13(9-25-16)14-7-11(8-24-14)19(21)22/h3-9H,2H2,1H3,(H,17,18,20).
What are the key properties of 4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
4-ethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.43, 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-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4610723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).