[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

C15H18F2N2S — CID 114361068

IUPAC[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(Cc2ccc(F)cc2F)sc1CN
InChIInChI=1S/C15H18F2N2S/c1-15(2,3)14-12(8-18)20-13(19-14)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8,18H2,1-3H3
InChIKeyXCFNTOGDOMBSGK-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.77
Rot. Bonds3

About [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 114361068) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID114361068
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(Cc2ccc(F)cc2F)sc1CN
InChIInChI=1S/C15H18F2N2S/c1-15(2,3)14-12(8-18)20-13(19-14)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8,18H2,1-3H3
InChIKeyXCFNTOGDOMBSGK-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 114361068) is [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is CC(C)(C)c1nc(Cc2ccc(F)cc2F)sc1CN.
What is the InChIKey of [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is XCFNTOGDOMBSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-15(2,3)14-12(8-18)20-13(19-14)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8,18H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 296.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).