N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H19FN2S2 — CID 104841750

IUPACN-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(-c2c(F)cccc2SC)sc1CNC1CC1
InChIInChI=1S/C16H19FN2S2/c1-3-12-14(9-18-10-7-8-10)21-16(19-12)15-11(17)5-4-6-13(15)20-2/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyXFRSFHNRDZSYRJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.49
Rot. Bonds6

About N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104841750) has the molecular formula C16H19FN2S2 and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104841750
Molecular FormulaC16H19FN2S2
Molecular Weight322.47 g/mol
Exact Mass322.10
IUPAC NameN-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(-c2c(F)cccc2SC)sc1CNC1CC1
InChIInChI=1S/C16H19FN2S2/c1-3-12-14(9-18-10-7-8-10)21-16(19-12)15-11(17)5-4-6-13(15)20-2/h4-6,10,18H,3,7-9H2,1-2H3
InChIKeyXFRSFHNRDZSYRJ-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[2-(2-bromo-6-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114887802
N-[[2-(2-bromo-4-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915419
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788
4-ethyl-2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 104838329
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104841750) is N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(-c2c(F)cccc2SC)sc1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XFRSFHNRDZSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S2/c1-3-12-14(9-18-10-7-8-10)21-16(19-12)15-11(17)5-4-6-13(15)20-2/h4-6,10,18H,3,7-9H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 322.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).