N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C14H18FN3S — CID 62753085

IUPACN-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)c2cccc(F)c2)nc1C
InChIInChI=1S/C14H18FN3S/c1-9(16-3)13-10(2)17-14(19-13)18(4)12-7-5-6-11(15)8-12/h5-9,16H,1-4H3
InChIKeyVRYCPMZPRAQOPK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.64
Rot. Bonds4

About N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62753085) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62753085
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)c2cccc(F)c2)nc1C
InChIInChI=1S/C14H18FN3S/c1-9(16-3)13-10(2)17-14(19-13)18(4)12-7-5-6-11(15)8-12/h5-9,16H,1-4H3
InChIKeyVRYCPMZPRAQOPK-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543560
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
N-[1-(2-chlorophenyl)ethyl]-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62985819
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750110
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753605
N-(1-ethylpiperidin-4-yl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62754118

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62753085) is N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)c2cccc(F)c2)nc1C.
What is the InChIKey of N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VRYCPMZPRAQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-9(16-3)13-10(2)17-14(19-13)18(4)12-7-5-6-11(15)8-12/h5-9,16H,1-4H3.
What are the key properties of N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62753085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).