2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine

C12H13FN2S2 — CID 95472479

IUPAC2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H13FN2S2/c13-11-4-2-1-3-10(11)12-15-9(8-17-12)7-16-6-5-14/h1-4,8H,5-7,14H2
InChIKeyIQIUPNOLHPVVRD-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.14
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine

2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine (PubChem CID 95472479) has the molecular formula C12H13FN2S2 and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
PubChem CID95472479
Molecular FormulaC12H13FN2S2
Molecular Weight268.38 g/mol
Exact Mass268.05
IUPAC Name2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
SMILESNCCSCc1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H13FN2S2/c13-11-4-2-1-3-10(11)12-15-9(8-17-12)7-16-6-5-14/h1-4,8H,5-7,14H2
InChIKeyIQIUPNOLHPVVRD-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472481
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
2-(2,6-difluorophenyl)-4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083256
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium
CID 91757228
2-[(2-fluorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 21425273
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892142
2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 46083243
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
[(3R,4R)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758662
4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
CID 95316808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine?
The IUPAC name of 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine (CID 95472479) is 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine is NCCSCc1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine?
The InChIKey is IQIUPNOLHPVVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S2/c13-11-4-2-1-3-10(11)12-15-9(8-17-12)7-16-6-5-14/h1-4,8H,5-7,14H2.
What are the key properties of 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine?
2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine is sourced from PubChem (CID 95472479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).