N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H17FN2S2 — CID 66073362

IUPACN-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2cccc(F)c2)nc1C
InChIInChI=1S/C14H17FN2S2/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-5-11(15)7-12/h4-7,16H,3,8-9H2,1-2H3
InChIKeyBQTUZHIFNVPUOO-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.99
Rot. Bonds6

About N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 66073362) has the molecular formula C14H17FN2S2 and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID66073362
Molecular FormulaC14H17FN2S2
Molecular Weight296.44 g/mol
Exact Mass296.08
IUPAC NameN-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2cccc(F)c2)nc1C
InChIInChI=1S/C14H17FN2S2/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-5-11(15)7-12/h4-7,16H,3,8-9H2,1-2H3
InChIKeyBQTUZHIFNVPUOO-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 66073362) is N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CSc2cccc(F)c2)nc1C.
What is the InChIKey of N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BQTUZHIFNVPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S2/c1-3-16-8-13-10(2)17-14(19-13)9-18-12-6-4-5-11(15)7-12/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 66073362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).