N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline

C15H19FN2S — CID 55179090

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19FN2S/c1-10-5-6-12(16)13(7-10)17-8-11-9-18-14(19-11)15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyBORDSSMLDOESJY-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.50
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline (PubChem CID 55179090) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline
PubChem CID55179090
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19FN2S/c1-10-5-6-12(16)13(7-10)17-8-11-9-18-14(19-11)15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyBORDSSMLDOESJY-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline (CID 55179090) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NCc2cnc(C(C)(C)C)s2)c1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is BORDSSMLDOESJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10-5-6-12(16)13(7-10)17-8-11-9-18-14(19-11)15(2,3)4/h5-7,9,17H,8H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline has a molecular weight of 278.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 55179090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).