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

C14H13F3N2S — CID 107920955

IUPACN-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-c2c(F)cc(F)cc2F)sc1CNC1CC1
InChIInChI=1S/C14H13F3N2S/c1-7-12(6-18-9-2-3-9)20-14(19-7)13-10(16)4-8(15)5-11(13)17/h4-5,9,18H,2-3,6H2,1H3
InChIKeyYKKHZHAMVAAGLC-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.79
Rot. Bonds4

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

N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 107920955) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID107920955
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC NameN-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(-c2c(F)cc(F)cc2F)sc1CNC1CC1
InChIInChI=1S/C14H13F3N2S/c1-7-12(6-18-9-2-3-9)20-14(19-7)13-10(16)4-8(15)5-11(13)17/h4-5,9,18H,2-3,6H2,1H3
InChIKeyYKKHZHAMVAAGLC-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
CID 114016134
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104790778
N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365703
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321
N-[[2-(2-bromo-6-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114887802
N-[[4-ethyl-2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841750

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 107920955) is N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1nc(-c2c(F)cc(F)cc2F)sc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YKKHZHAMVAAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-7-12(6-18-9-2-3-9)20-14(19-7)13-10(16)4-8(15)5-11(13)17/h4-5,9,18H,2-3,6H2,1H3.
What are the key properties of N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 298.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107920955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).