[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C13H15FN2OS2 — CID 114361600

IUPAC[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CSc2ccccc2F)sc1CN
InChIInChI=1S/C13H15FN2OS2/c1-17-7-10-12(6-15)19-13(16-10)8-18-11-5-3-2-4-9(11)14/h2-5H,6-8,15H2,1H3
InChIKeyBLNHLBGZDLVGTH-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.18
Rot. Bonds6

About [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361600) has the molecular formula C13H15FN2OS2 and a molecular weight of 298.41 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361600
Molecular FormulaC13H15FN2OS2
Molecular Weight298.41 g/mol
Exact Mass298.06
IUPAC Name[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CSc2ccccc2F)sc1CN
InChIInChI=1S/C13H15FN2OS2/c1-17-7-10-12(6-15)19-13(16-10)8-18-11-5-3-2-4-9(11)14/h2-5H,6-8,15H2,1H3
InChIKeyBLNHLBGZDLVGTH-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366141
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299180
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 114361705
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 114361600) is [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(CSc2ccccc2F)sc1CN.
What is the InChIKey of [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BLNHLBGZDLVGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS2/c1-17-7-10-12(6-15)19-13(16-10)8-18-11-5-3-2-4-9(11)14/h2-5H,6-8,15H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).