2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine

C13H15FN2S2 — CID 114275569

IUPAC2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2S2/c1-15-7-6-11-8-18-13(16-11)9-17-12-4-2-10(14)3-5-12/h2-5,8,15H,6-7,9H2,1H3
InChIKeyZAUVBBVONIRKNG-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.34
Rot. Bonds6

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

2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 114275569) has the molecular formula C13H15FN2S2 and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID114275569
Molecular FormulaC13H15FN2S2
Molecular Weight282.41 g/mol
Exact Mass282.07
IUPAC Name2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNCCc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2S2/c1-15-7-6-11-8-18-13(16-11)9-17-12-4-2-10(14)3-5-12/h2-5,8,15H,6-7,9H2,1H3
InChIKeyZAUVBBVONIRKNG-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501476
2-[(4-chlorophenyl)sulfanylmethyl]-4-(3-chloropropyl)-1,3-thiazole
CID 113369420
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66051369
1-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66160617
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111832821
1-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111567503
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
methyl 2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574289
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine (CID 114275569) is 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine is CNCCc1csc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is ZAUVBBVONIRKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S2/c1-15-7-6-11-8-18-13(16-11)9-17-12-4-2-10(14)3-5-12/h2-5,8,15H,6-7,9H2,1H3.
What are the key properties of 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 282.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 114275569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).