5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine

C13H14F2N2S — CID 62065021

IUPAC5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1c(F)cccc1F
InChIInChI=1S/C13H14F2N2S/c1-2-4-11-12(18-13(16)17-11)7-8-9(14)5-3-6-10(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17)
InChIKeyHYNTXNQAWWTPDM-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.55
Rot. Bonds4

About 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 62065021) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID62065021
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1c(F)cccc1F
InChIInChI=1S/C13H14F2N2S/c1-2-4-11-12(18-13(16)17-11)7-8-9(14)5-3-6-10(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17)
InChIKeyHYNTXNQAWWTPDM-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62813752
5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 83077713
5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62067040
5-[[2-(methoxymethyl)phenyl]methyl]-4-propyl-1,3-thiazol-2-amine
CID 62064336
5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63399362
5-[(2-bromo-4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81275594
5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81274693
4-ethyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
CID 115564802
5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
CID 141313794
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107602467
5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107577222
5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107622755

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 62065021) is 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1c(F)cccc1F.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is HYNTXNQAWWTPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-2-4-11-12(18-13(16)17-11)7-8-9(14)5-3-6-10(8)15/h3,5-6H,2,4,7H2,1H3,(H2,16,17).
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 268.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).