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

C16H22FN3S — CID 62753296

IUPAC5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H22FN3S/c1-16(2,3)19-10-14-9-18-15(21-14)20(4)11-12-5-7-13(17)8-6-12/h5-9,19H,10-11H2,1-4H3
InChIKeyIPCJRFJLHYPDHJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.81
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 62753296) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID62753296
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC Name5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C16H22FN3S/c1-16(2,3)19-10-14-9-18-15(21-14)20(4)11-12-5-7-13(17)8-6-12/h5-9,19H,10-11H2,1-4H3
InChIKeyIPCJRFJLHYPDHJ-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
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-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 62753296) is 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccc(F)cc1)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IPCJRFJLHYPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-16(2,3)19-10-14-9-18-15(21-14)20(4)11-12-5-7-13(17)8-6-12/h5-9,19H,10-11H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.81, 5 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-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).