[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine

C12H13FN2S2 — CID 63289440

IUPAC[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1csc(SCc2ccc(F)cc2CN)n1
InChIInChI=1S/C12H13FN2S2/c1-8-6-16-12(15-8)17-7-9-2-3-11(13)4-10(9)5-14/h2-4,6H,5,7,14H2,1H3
InChIKeyUWJKLEGGMVHHEJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.34
Rot. Bonds4

About [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine

[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 63289440) has the molecular formula C12H13FN2S2 and a molecular weight of 268.38 g/mol. Its IUPAC name is [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID63289440
Molecular FormulaC12H13FN2S2
Molecular Weight268.38 g/mol
Exact Mass268.05
IUPAC Name[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1csc(SCc2ccc(F)cc2CN)n1
InChIInChI=1S/C12H13FN2S2/c1-8-6-16-12(15-8)17-7-9-2-3-11(13)4-10(9)5-14/h2-4,6H,5,7,14H2,1H3
InChIKeyUWJKLEGGMVHHEJ-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 113256504
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293267
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 63289568
[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-fluorophenyl]methanamine
CID 63289695
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65043451
[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62944053
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 114483968

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine (CID 63289440) is [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine is Cc1csc(SCc2ccc(F)cc2CN)n1.
What is the InChIKey of [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is UWJKLEGGMVHHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S2/c1-8-6-16-12(15-8)17-7-9-2-3-11(13)4-10(9)5-14/h2-4,6H,5,7,14H2,1H3.
What are the key properties of [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine?
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 63289440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).