5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C15H20FN3S — CID 62753605

IUPAC5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1cccc(F)c1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C15H20FN3S/c1-15(2,3)18-10-13-9-17-14(20-13)19(4)12-7-5-6-11(16)8-12/h5-9,18H,10H2,1-4H3
InChIKeyMTGHPYKOSUDIKL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.94
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753605) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62753605
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1cccc(F)c1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C15H20FN3S/c1-15(2,3)18-10-13-9-17-14(20-13)19(4)12-7-5-6-11(16)8-12/h5-9,18H,10H2,1-4H3
InChIKeyMTGHPYKOSUDIKL-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 62753971
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753672
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62753806
N-(3,5-dimethylphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62754121
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 62753605) is 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1cccc(F)c1)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MTGHPYKOSUDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-15(2,3)18-10-13-9-17-14(20-13)19(4)12-7-5-6-11(16)8-12/h5-9,18H,10H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).