4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine

C13H15ClN2S — CID 42814860

IUPAC4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN2S/c1-13(2,3)11-8-17-12(16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyPGTLLXPOURYZEU-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.84
Rot. Bonds2

About 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 42814860) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID42814860
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN2S/c1-13(2,3)11-8-17-12(16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyPGTLLXPOURYZEU-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 42814860) is 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is PGTLLXPOURYZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-13(2,3)11-8-17-12(16-11)15-10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42814860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).