N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide

C14H8FN3O3S2 — CID 702344

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H8FN3O3S2/c15-9-3-1-8(2-4-9)10-7-22-14(16-10)17-13(19)11-5-6-12(23-11)18(20)21/h1-7H,(H,16,17,19)
InChIKeyABDBNZVMPUBXCE-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.17
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide (PubChem CID 702344) has the molecular formula C14H8FN3O3S2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
PubChem CID702344
Molecular FormulaC14H8FN3O3S2
Molecular Weight349.37 g/mol
Exact Mass349.00
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H8FN3O3S2/c15-9-3-1-8(2-4-9)10-7-22-14(16-10)17-13(19)11-5-6-12(23-11)18(20)21/h1-7H,(H,16,17,19)
InChIKeyABDBNZVMPUBXCE-UHFFFAOYSA-N
XLogP4.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.17
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'}

Analyze N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide (CID 702344) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
The InChIKey is ABDBNZVMPUBXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3S2/c15-9-3-1-8(2-4-9)10-7-22-14(16-10)17-13(19)11-5-6-12(23-11)18(20)21/h1-7H,(H,16,17,19).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 702344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).