N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline

C17H15FN2S — CID 103944201

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1ccc(F)cc1CNc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H15FN2S/c1-12-5-6-15(18)9-14(12)11-20-16-4-2-3-13(10-16)17-19-7-8-21-17/h2-10,20H,11H2,1H3
InChIKeyHBTFCBIQHNDGNR-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.87
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline

N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline (PubChem CID 103944201) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
PubChem CID103944201
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1ccc(F)cc1CNc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H15FN2S/c1-12-5-6-15(18)9-14(12)11-20-16-4-2-3-13(10-16)17-19-7-8-21-17/h2-10,20H,11H2,1H3
InChIKeyHBTFCBIQHNDGNR-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[(4-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936182
N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline
CID 113373272
N-[(3-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936311
N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 105371129
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 103960910
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103276582
N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)-3-(1,3-thiazol-2-yl)aniline
CID 146141043
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline (CID 103944201) is N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline is Cc1ccc(F)cc1CNc1cccc(-c2nccs2)c1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is HBTFCBIQHNDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-12-5-6-15(18)9-14(12)11-20-16-4-2-3-13(10-16)17-19-7-8-21-17/h2-10,20H,11H2,1H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline?
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 298.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 103944201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).