1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C14H16F2N2S — CID 82923060

IUPAC1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)Cc1nc(C)cs1
InChIInChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)7-11(17-2)5-10-3-4-12(15)13(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3
InChIKeyYWYOKGMMOGBSPQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.10
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 82923060) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID82923060
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)Cc1nc(C)cs1
InChIInChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)7-11(17-2)5-10-3-4-12(15)13(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3
InChIKeyYWYOKGMMOGBSPQ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 79828211
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
CID 62795679
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105175964
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796034
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 82923060) is 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1ccc(F)c(F)c1)Cc1nc(C)cs1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is YWYOKGMMOGBSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-9-8-19-14(18-9)7-11(17-2)5-10-3-4-12(15)13(16)6-10/h3-4,6,8,11,17H,5,7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 82923060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).