1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine

C14H16F2N2S — CID 105019585

IUPAC1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(CC(N)Cc2c(F)cccc2F)sc1C
InChIInChI=1S/C14H16F2N2S/c1-8-9(2)19-14(18-8)7-10(17)6-11-12(15)4-3-5-13(11)16/h3-5,10H,6-7,17H2,1-2H3
InChIKeyFXXMJQJBECBLGQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.15
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine

1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 105019585) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID105019585
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(CC(N)Cc2c(F)cccc2F)sc1C
InChIInChI=1S/C14H16F2N2S/c1-8-9(2)19-14(18-8)7-10(17)6-11-12(15)4-3-5-13(11)16/h3-5,10H,6-7,17H2,1-2H3
InChIKeyFXXMJQJBECBLGQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65168639
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
2-(2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031186
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
CID 103028643
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
4-(2,6-difluorophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 114932542
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine (CID 105019585) is 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine is Cc1nc(CC(N)Cc2c(F)cccc2F)sc1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is FXXMJQJBECBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-8-9(2)19-14(18-8)7-10(17)6-11-12(15)4-3-5-13(11)16/h3-5,10H,6-7,17H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 105019585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).