2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine

C15H20FN3S — CID 64993719

IUPAC2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)c1nccs1
InChIInChI=1S/C15H20FN3S/c1-10(2)19(4)14-6-5-12(9-13(14)16)18-11(3)15-17-7-8-20-15/h5-11,18H,1-4H3
InChIKeyNMPQGDANSKDWPZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.30
Rot. Bonds5

About 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine

2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine (PubChem CID 64993719) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
PubChem CID64993719
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)c1nccs1
InChIInChI=1S/C15H20FN3S/c1-10(2)19(4)14-6-5-12(9-13(14)16)18-11(3)15-17-7-8-20-15/h5-11,18H,1-4H3
InChIKeyNMPQGDANSKDWPZ-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
N-[1-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 64988722
4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679348
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993127

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine (CID 64993719) is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine is CC(Nc1ccc(N(C)C(C)C)c(F)c1)c1nccs1.
What is the InChIKey of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
The InChIKey is NMPQGDANSKDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-10(2)19(4)14-6-5-12(9-13(14)16)18-11(3)15-17-7-8-20-15/h5-11,18H,1-4H3.
What are the key properties of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine?
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 64993719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).