N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C14H16ClFN2S — CID 55079087

IUPACN-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-9(2)6-17-7-10-8-18-14(19-10)13-11(15)4-3-5-12(13)16/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyGFWYWQIIDLSONN-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.35
Rot. Bonds5

About N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55079087) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID55079087
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC NameN-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-9(2)6-17-7-10-8-18-14(19-10)13-11(15)4-3-5-12(13)16/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyGFWYWQIIDLSONN-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63023882
N-[[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404972
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81277433
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887585
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66423104

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 55079087) is N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(-c2c(F)cccc2Cl)s1.
What is the InChIKey of N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GFWYWQIIDLSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-9(2)6-17-7-10-8-18-14(19-10)13-11(15)4-3-5-12(13)16/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55079087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).