2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine

C18H18N2S — CID 63469518

IUPAC2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)sc2N)c(C)c1
InChIInChI=1S/C18H18N2S/c1-11-9-12(2)15(13(3)10-11)16-17(19)21-18(20-16)14-7-5-4-6-8-14/h4-10H,19H2,1-3H3
InChIKeyKIUSINWRLILWAY-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.98
Rot. Bonds2

About 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine

2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine (PubChem CID 63469518) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
PubChem CID63469518
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine
SMILESCc1cc(C)c(-c2nc(-c3ccccc3)sc2N)c(C)c1
InChIInChI=1S/C18H18N2S/c1-11-9-12(2)15(13(3)10-11)16-17(19)21-18(20-16)14-7-5-4-6-8-14/h4-10H,19H2,1-3H3
InChIKeyKIUSINWRLILWAY-UHFFFAOYSA-N
XLogP4.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine (CID 63469518) is 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine is Cc1cc(C)c(-c2nc(-c3ccccc3)sc2N)c(C)c1.
What is the InChIKey of 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine?
The InChIKey is KIUSINWRLILWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-11-9-12(2)15(13(3)10-11)16-17(19)21-18(20-16)14-7-5-4-6-8-14/h4-10H,19H2,1-3H3.
What are the key properties of 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine?
2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine has a molecular weight of 294.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 63469518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).