4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C14H17F2N3S — CID 63787345

IUPAC4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CN(C)c2c(F)cc(CCN)cc2F)cs1
InChIInChI=1S/C14H17F2N3S/c1-9-18-11(8-20-9)7-19(2)14-12(15)5-10(3-4-17)6-13(14)16/h5-6,8H,3-4,7,17H2,1-2H3
InChIKeyVJVISLBHNMUSDP-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.87
Rot. Bonds5

About 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 63787345) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID63787345
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CN(C)c2c(F)cc(CCN)cc2F)cs1
InChIInChI=1S/C14H17F2N3S/c1-9-18-11(8-20-9)7-19(2)14-12(15)5-10(3-4-17)6-13(14)16/h5-6,8H,3-4,7,17H2,1-2H3
InChIKeyVJVISLBHNMUSDP-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline with MolForge

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Related Compounds

4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847
3,5-difluoro-N'-hydroxy-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81286419
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837489
2,6-difluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 79832344
2-(aminomethyl)-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 62306932
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 55236382
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 63787345) is 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CN(C)c2c(F)cc(CCN)cc2F)cs1.
What is the InChIKey of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is VJVISLBHNMUSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-9-18-11(8-20-9)7-19(2)14-12(15)5-10(3-4-17)6-13(14)16/h5-6,8H,3-4,7,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 297.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 63787345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).