2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide

C15H10FN3O4S2 — CID 43951067

IUPAC2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1F)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1
InChIInChI=1S/C15H10FN3O4S2/c16-10-3-1-2-4-12(10)23-6-14(20)18-15-17-11(8-25-15)13-5-9(7-24-13)19(21)22/h1-5,7-8H,6H2,(H,17,18,20)
InChIKeyDSOBZOSQVJMIIA-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide

2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 43951067) has the molecular formula C15H10FN3O4S2 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID43951067
Molecular FormulaC15H10FN3O4S2
Molecular Weight379.39 g/mol
Exact Mass379.01
IUPAC Name2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1F)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1
InChIInChI=1S/C15H10FN3O4S2/c16-10-3-1-2-4-12(10)23-6-14(20)18-15-17-11(8-25-15)13-5-9(7-24-13)19(21)22/h1-5,7-8H,6H2,(H,17,18,20)
InChIKeyDSOBZOSQVJMIIA-UHFFFAOYSA-N
XLogP3.94
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 43951067) is 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccccc1F)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DSOBZOSQVJMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O4S2/c16-10-3-1-2-4-12(10)23-6-14(20)18-15-17-11(8-25-15)13-5-9(7-24-13)19(21)22/h1-5,7-8H,6H2,(H,17,18,20).
What are the key properties of 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43951067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).