1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine

C13H14F2N2S — CID 114033747

IUPAC1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1sc(C)nc1C
InChIInChI=1S/C13H14F2N2S/c1-7-13(18-8(2)17-7)12(16-3)9-4-5-10(14)11(15)6-9/h4-6,12,16H,1-3H3
InChIKeyVLVSYGPWBGOWHK-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 114033747) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID114033747
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1sc(C)nc1C
InChIInChI=1S/C13H14F2N2S/c1-7-13(18-8(2)17-7)12(16-3)9-4-5-10(14)11(15)6-9/h4-6,12,16H,1-3H3
InChIKeyVLVSYGPWBGOWHK-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 114033683
1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 115374301
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
[(2,4-dimethyl-1,3-thiazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 114033921
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62802022
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643595
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 114033747) is 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine is CNC(c1ccc(F)c(F)c1)c1sc(C)nc1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is VLVSYGPWBGOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-7-13(18-8(2)17-7)12(16-3)9-4-5-10(14)11(15)6-9/h4-6,12,16H,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 268.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114033747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).