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

C14H16ClFN2S — CID 62066478

IUPAC4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)6-8-4-5-9(16)7-10(8)15/h4-5,7H,6H2,1-3H3,(H2,17,18)
InChIKeyHCVUPACRWBAGHS-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.41
Rot. Bonds2

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

4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62066478) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62066478
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)6-8-4-5-9(16)7-10(8)15/h4-5,7H,6H2,1-3H3,(H2,17,18)
InChIKeyHCVUPACRWBAGHS-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 62066478) is 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1ccc(F)cc1Cl.
What is the InChIKey of 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HCVUPACRWBAGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)6-8-4-5-9(16)7-10(8)15/h4-5,7H,6H2,1-3H3,(H2,17,18).
What are the key properties of 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 298.81 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62066478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).