4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine

C10H8FN3O2S — CID 114059915

IUPAC4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C10H8FN3O2S/c1-12-10-13-8(5-17-10)6-2-3-7(11)9(4-6)14(15)16/h2-5H,1H3,(H,12,13)
InChIKeyMCNSWYKRGQGPLG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine

4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 114059915) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID114059915
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C10H8FN3O2S/c1-12-10-13-8(5-17-10)6-2-3-7(11)9(4-6)14(15)16/h2-5H,1H3,(H,12,13)
InChIKeyMCNSWYKRGQGPLG-UHFFFAOYSA-N
XLogP2.90
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
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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Related Compounds

N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
1-(4-fluoro-3-nitrophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55536307
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfonyl-3-nitrobenzamide
CID 26176205
3-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-5-carboxylic acid
CID 84761093
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 134041781
6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770030
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 24568671
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine (CID 114059915) is 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(F)c([N+](=O)[O-])c2)cs1.
What is the InChIKey of 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MCNSWYKRGQGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c1-12-10-13-8(5-17-10)6-2-3-7(11)9(4-6)14(15)16/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine?
4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 253.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114059915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).