N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

C14H16ClFN2S — CID 102610264

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2cc(F)ccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-3-12-8-18-14(19-12)9(2)17-7-10-6-11(16)4-5-13(10)15/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyNFXMALXSCMJSKS-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.35
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine

N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 102610264) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID102610264
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2cc(F)ccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-3-12-8-18-14(19-12)9(2)17-7-10-6-11(16)4-5-13(10)15/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyNFXMALXSCMJSKS-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 102610264) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(C(C)NCc2cc(F)ccc2Cl)s1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is NFXMALXSCMJSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-3-12-8-18-14(19-12)9(2)17-7-10-6-11(16)4-5-13(10)15/h4-6,8-9,17H,3,7H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine 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-chloro-5-fluorophenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102610264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).