5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine

C13H14ClFN2S — CID 62067040

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2S/c1-2-4-10-11(18-13(16)17-10)7-8-5-3-6-9(14)12(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17)
InChIKeyGPBHKKYACQINCY-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.06
Rot. Bonds4

About 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 62067040) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID62067040
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2S/c1-2-4-10-11(18-13(16)17-10)7-8-5-3-6-9(14)12(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17)
InChIKeyGPBHKKYACQINCY-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363616
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363886
5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62065021
5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 83077713
5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 103481119
5-[[2-(methoxymethyl)phenyl]methyl]-4-propyl-1,3-thiazol-2-amine
CID 62064336
5-[(2-bromo-4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81275594
4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62813752
5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81274693
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 62065198
5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63399362

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 62067040) is 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1cccc(Cl)c1F.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is GPBHKKYACQINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-2-4-10-11(18-13(16)17-10)7-8-5-3-6-9(14)12(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17).
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 284.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62067040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).