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

C15H20FN3S — CID 62985824

IUPAC5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)c2ccccc2F)sc1CN
InChIInChI=1S/C15H20FN3S/c1-4-13-14(9-17)20-15(18-13)19(3)10(2)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3
InChIKeySBGOOLFMSKFBQR-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds5

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

5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 62985824) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID62985824
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)c2ccccc2F)sc1CN
InChIInChI=1S/C15H20FN3S/c1-4-13-14(9-17)20-15(18-13)19(3)10(2)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3
InChIKeySBGOOLFMSKFBQR-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79494190
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,6-dimethylpyridin-2-amine
CID 62980701
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62769283
4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83157199
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
methyl 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424360
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 62980166
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 62985824) is 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)C(C)c2ccccc2F)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is SBGOOLFMSKFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-13-14(9-17)20-15(18-13)19(3)10(2)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62985824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).