N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C15H20FN3S — CID 64545171

IUPACN-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN3S/c1-4-9-17-11(2)13-10-20-15(18-13)19(3)14-8-6-5-7-12(14)16/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeySCUAZONQTAMYKZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.11
Rot. Bonds6

About N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64545171) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64545171
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN3S/c1-4-9-17-11(2)13-10-20-15(18-13)19(3)14-8-6-5-7-12(14)16/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeySCUAZONQTAMYKZ-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544155
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 83156953
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
CID 102997970
N-(2-ethoxyethyl)-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545196
2-(2-fluoro-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568925
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64545171) is N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(C)c2ccccc2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is SCUAZONQTAMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-9-17-11(2)13-10-20-15(18-13)19(3)14-8-6-5-7-12(14)16/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64545171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).