N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline

C14H17FN2S — CID 115686019

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
SMILESCC(C)(C)c1nc(CNc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2S/c1-14(2,3)13-17-10(9-18-13)8-16-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3
InChIKeyRBTHJLGHRMEULD-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.19
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline (PubChem CID 115686019) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
PubChem CID115686019
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline
SMILESCC(C)(C)c1nc(CNc2ccccc2F)cs1
InChIInChI=1S/C14H17FN2S/c1-14(2,3)13-17-10(9-18-13)8-16-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3
InChIKeyRBTHJLGHRMEULD-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.19
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-4-yl)methyl]-2-fluoroaniline?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline (CID 115686019) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline is CC(C)(C)c1nc(CNc2ccccc2F)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline?
The InChIKey is RBTHJLGHRMEULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-14(2,3)13-17-10(9-18-13)8-16-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-fluoroaniline has a molecular weight of 264.37 g/mol, XLogP of 4.19, 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-4-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 115686019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).