4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine

C18H18N2S — CID 64708326

IUPAC4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-12(17-13(2)20-18(19)21-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20)
InChIKeyYQLFMDTYGQDMCS-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.85
Rot. Bonds3

About 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine

4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 64708326) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID64708326
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-12(17-13(2)20-18(19)21-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20)
InChIKeyYQLFMDTYGQDMCS-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine (CID 64708326) is 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is YQLFMDTYGQDMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12(17-13(2)20-18(19)21-17)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,19,20).
What are the key properties of 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64708326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).