4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

C15H11FIN3S — CID 79759320

IUPAC4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(-c3ccccn3)n2)c(I)c1
InChIInChI=1S/C15H11FIN3S/c16-10-4-5-13(12(17)7-10)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2
InChIKeyRMYXPGXSWLTDHR-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.56
Rot. Bonds4

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

4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 79759320) has the molecular formula C15H11FIN3S and a molecular weight of 411.24 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID79759320
Molecular FormulaC15H11FIN3S
Molecular Weight411.24 g/mol
Exact Mass410.97
IUPAC Name4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2csc(-c3ccccn3)n2)c(I)c1
InChIInChI=1S/C15H11FIN3S/c16-10-4-5-13(12(17)7-10)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2
InChIKeyRMYXPGXSWLTDHR-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline
CID 79769623
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 107598427
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 79759320) is 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Fc1ccc(NCc2csc(-c3ccccn3)n2)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is RMYXPGXSWLTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3S/c16-10-4-5-13(12(17)7-10)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2.
What are the key properties of 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 411.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 79759320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).