N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine

C19H19ClFN3S — CID 46704685

IUPACN-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1csc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C19H19ClFN3S/c1-24(9-7-16-4-2-3-8-22-16)12-17-13-25-19(23-17)10-14-5-6-15(21)11-18(14)20/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyRIIDISLICSHWRM-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.60
Rot. Bonds7

About N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 46704685) has the molecular formula C19H19ClFN3S and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID46704685
Molecular FormulaC19H19ClFN3S
Molecular Weight375.90 g/mol
Exact Mass375.10
IUPAC NameN-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1csc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C19H19ClFN3S/c1-24(9-7-16-4-2-3-8-22-16)12-17-13-25-19(23-17)10-14-5-6-15(21)11-18(14)20/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyRIIDISLICSHWRM-UHFFFAOYSA-N
XLogP4.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 46704685) is N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1csc(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is RIIDISLICSHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3S/c1-24(9-7-16-4-2-3-8-22-16)12-17-13-25-19(23-17)10-14-5-6-15(21)11-18(14)20/h2-6,8,11,13H,7,9-10,12H2,1H3.
What are the key properties of N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 375.90 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 46704685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).