4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole

C10H6F2N2O2S — CID 10988876

IUPAC4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc([N+](=O)[O-])c(F)cc2F)cs1
InChIInChI=1S/C10H6F2N2O2S/c1-5-13-9(4-17-5)6-2-10(14(15)16)8(12)3-7(6)11/h2-4H,1H3
InChIKeyDSJZJDOBBPNYDK-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.30
Rot. Bonds2

About 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole

4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole (PubChem CID 10988876) has the molecular formula C10H6F2N2O2S and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
PubChem CID10988876
Molecular FormulaC10H6F2N2O2S
Molecular Weight256.23 g/mol
Exact Mass256.01
IUPAC Name4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc([N+](=O)[O-])c(F)cc2F)cs1
InChIInChI=1S/C10H6F2N2O2S/c1-5-13-9(4-17-5)6-2-10(14(15)16)8(12)3-7(6)11/h2-4H,1H3
InChIKeyDSJZJDOBBPNYDK-UHFFFAOYSA-N
XLogP3.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 11117740
1-(2,4-difluoro-5-nitrophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61283007
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106039505
4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
CID 2776589
4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
CID 24902220
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
5-fluoro-3-methyl-6-nitro-1-benzothiophene
CID 130866447
5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
CID 122358515
4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
CID 114059915
2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol
CID 4058328
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole (CID 10988876) is 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2cc([N+](=O)[O-])c(F)cc2F)cs1.
What is the InChIKey of 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole?
The InChIKey is DSJZJDOBBPNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2S/c1-5-13-9(4-17-5)6-2-10(14(15)16)8(12)3-7(6)11/h2-4H,1H3.
What are the key properties of 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole?
4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole has a molecular weight of 256.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 10988876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).