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

C14H17ClN2S — CID 62065383

IUPAC4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyLATCSSRQYUHLSG-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.27
Rot. Bonds2

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

4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62065383) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62065383
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyLATCSSRQYUHLSG-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.27
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-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 62065383) is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is LATCSSRQYUHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H2,16,17).
What are the key properties of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 4.27, 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-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).