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

C14H16ClFN2S — CID 107530840

IUPAC4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-6-9(16)4-5-10(8)15/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyZPZGHKATGIUOFY-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.41
Rot. Bonds2

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

4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107530840) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID107530840
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-6-9(16)4-5-10(8)15/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyZPZGHKATGIUOFY-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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Related Compounds

4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107530836
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 63399247
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107602467
3-amino-1-(2-chloro-5-fluorophenyl)-3-methylbutan-2-one
CID 96600920
4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62064846
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068
5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 107626944

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 107530840) is 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1cc(F)ccc1Cl.
What is the InChIKey of 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZPZGHKATGIUOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-6-9(16)4-5-10(8)15/h4-6H,7H2,1-3H3,(H2,17,18).
What are the key properties of 4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-5-[(2-chloro-5-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-5-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107530840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).