1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C13H14ClFN2S — CID 112653689

IUPAC1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(CC(N)Cc2cccc(F)c2Cl)n1
InChIInChI=1S/C13H14ClFN2S/c1-8-7-18-12(17-8)6-10(16)5-9-3-2-4-11(15)13(9)14/h2-4,7,10H,5-6,16H2,1H3
InChIKeyOODJWUBMEBXTED-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 112653689) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID112653689
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1csc(CC(N)Cc2cccc(F)c2Cl)n1
InChIInChI=1S/C13H14ClFN2S/c1-8-7-18-12(17-8)6-10(16)5-9-3-2-4-11(15)13(9)14/h2-4,7,10H,5-6,16H2,1H3
InChIKeyOODJWUBMEBXTED-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 102618830
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 105373847
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
[1-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105206934
[1-(2,6-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214156
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105178948

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 112653689) is 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is Cc1csc(CC(N)Cc2cccc(F)c2Cl)n1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is OODJWUBMEBXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-8-7-18-12(17-8)6-10(16)5-9-3-2-4-11(15)13(9)14/h2-4,7,10H,5-6,16H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 112653689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).