4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole

C14H9FN2O2S2 — CID 155271617

IUPAC4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole
SMILESCc1sncc1-c1ccc(-c2ccc(F)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9FN2O2S2/c1-8-11(7-16-21-8)9-2-3-10(12(6-9)17(18)19)13-4-5-14(15)20-13/h2-7H,1H3
InChIKeyWPFPANJKQRMTQG-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.89
Rot. Bonds3

About 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole

4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole (PubChem CID 155271617) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole.

Molecular Properties

Compound Name4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole
PubChem CID155271617
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC Name4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole
SMILESCc1sncc1-c1ccc(-c2ccc(F)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9FN2O2S2/c1-8-11(7-16-21-8)9-2-3-10(12(6-9)17(18)19)13-4-5-14(15)20-13/h2-7H,1H3
InChIKeyWPFPANJKQRMTQG-UHFFFAOYSA-N
XLogP4.89
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole?
The IUPAC name of 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole (CID 155271617) is 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole.
What is the SMILES notation for 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole?
The canonical SMILES for 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole is Cc1sncc1-c1ccc(-c2ccc(F)s2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole?
The InChIKey is WPFPANJKQRMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c1-8-11(7-16-21-8)9-2-3-10(12(6-9)17(18)19)13-4-5-14(15)20-13/h2-7H,1H3.
What are the key properties of 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole?
4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole has a molecular weight of 320.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluorothiophen-2-yl)-3-nitrophenyl]-5-methyl-1,2-thiazole is sourced from PubChem (CID 155271617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).