5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C15H20FN3S — CID 62766697

IUPAC5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1cccc(F)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C15H20FN3S/c1-15(2,3)13-12(9-17)20-14(18-13)19(4)11-7-5-6-10(16)8-11/h5-8H,9,17H2,1-4H3
InChIKeyYRVSRLKEAVZODY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.81
Rot. Bonds3

About 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62766697) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62766697
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1cccc(F)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C15H20FN3S/c1-15(2,3)13-12(9-17)20-14(18-13)19(4)11-7-5-6-10(16)8-11/h5-8H,9,17H2,1-4H3
InChIKeyYRVSRLKEAVZODY-UHFFFAOYSA-N
XLogP3.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 62766697) is 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1cccc(F)c1)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YRVSRLKEAVZODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-15(2,3)13-12(9-17)20-14(18-13)19(4)11-7-5-6-10(16)8-11/h5-8H,9,17H2,1-4H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).