2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine

C11H10ClFN2S — CID 103040328

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-8-3-7(1-2-9(8)13)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2
InChIKeySQQRZEUJTJBZHB-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.18
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 103040328) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID103040328
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-8-3-7(1-2-9(8)13)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2
InChIKeySQQRZEUJTJBZHB-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 102619185
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114012748
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-fluoro-1-(1,3-thiazol-4-yl)ethanamine
CID 83815268
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81145010
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722329
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 107995838
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine (CID 103040328) is 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1cscn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is SQQRZEUJTJBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-8-3-7(1-2-9(8)13)4-10(14)11-5-16-6-15-11/h1-3,5-6,10H,4,14H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 256.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 103040328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).