2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline

C15H12FN3S2 — CID 79129470

IUPAC2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESNc1ccc(SCc2csc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C15H12FN3S2/c16-12-7-11(4-5-13(12)17)20-8-10-9-21-15(19-10)14-3-1-2-6-18-14/h1-7,9H,8,17H2
InChIKeyTZNSMNGETGPYQR-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.22
Rot. Bonds4

About 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline

2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 79129470) has the molecular formula C15H12FN3S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID79129470
Molecular FormulaC15H12FN3S2
Molecular Weight317.41 g/mol
Exact Mass317.05
IUPAC Name2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESNc1ccc(SCc2csc(-c3ccccn3)n2)cc1F
InChIInChI=1S/C15H12FN3S2/c16-12-7-11(4-5-13(12)17)20-8-10-9-21-15(19-10)14-3-1-2-6-18-14/h1-7,9H,8,17H2
InChIKeyTZNSMNGETGPYQR-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
N-[4-[(4-amino-3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 79140742
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
2-fluoro-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)aniline
CID 39164031
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 46083243
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 86795571
3-(furan-2-yl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 42479023

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 79129470) is 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is Nc1ccc(SCc2csc(-c3ccccn3)n2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is TZNSMNGETGPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S2/c16-12-7-11(4-5-13(12)17)20-8-10-9-21-15(19-10)14-3-1-2-6-18-14/h1-7,9H,8,17H2.
What are the key properties of 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 317.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79129470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).