N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C14H16ClFN2S — CID 79823595

IUPACN-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(16)8-12(11)15/h3-4,6-8,13,17H,2,5,9H2,1H3
InChIKeyOBHOMOWYBMHUKL-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.22
Rot. Bonds6

About N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79823595) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79823595
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(16)8-12(11)15/h3-4,6-8,13,17H,2,5,9H2,1H3
InChIKeyOBHOMOWYBMHUKL-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-[1-(2-chloro-4-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63419847
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015291
N-[1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169282
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82800945
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
1-(2-chloro-4-fluorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 63192372

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79823595) is N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OBHOMOWYBMHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-2-5-17-13(9-14-18-6-7-19-14)11-4-3-10(16)8-12(11)15/h3-4,6-8,13,17H,2,5,9H2,1H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 298.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79823595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).