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

C14H16F2N2S — CID 82922563

IUPACN-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1cscn1
InChIInChI=1S/C14H16F2N2S/c1-2-5-17-13(14-8-19-9-18-14)7-10-3-4-11(15)12(16)6-10/h3-4,6,8-9,13,17H,2,5,7H2,1H3
InChIKeyAMUNCOHFLTWDDK-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.70
Rot. Bonds6

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

N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 82922563) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID82922563
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1cscn1
InChIInChI=1S/C14H16F2N2S/c1-2-5-17-13(14-8-19-9-18-14)7-10-3-4-11(15)12(16)6-10/h3-4,6,8-9,13,17H,2,5,7H2,1H3
InChIKeyAMUNCOHFLTWDDK-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114012748
N-[2-(5-bromo-3-pyridinyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 113455089
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
1-(3,4-difluorophenyl)-N-propylbut-3-yn-2-amine
CID 104995812
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 107129043
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1-(3,4-difluorophenyl)-N-propylbut-3-en-2-amine
CID 105000995
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 82922563) is N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(F)c1)c1cscn1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is AMUNCOHFLTWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-2-5-17-13(14-8-19-9-18-14)7-10-3-4-11(15)12(16)6-10/h3-4,6,8-9,13,17H,2,5,7H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 282.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82922563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).