4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine

C17H16N2S — CID 2382939

IUPAC4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
InChIKeyDLANDBNUPHBVOL-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.68
Rot. Bonds2

About 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine

4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 2382939) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID2382939
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
InChIKeyDLANDBNUPHBVOL-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine (CID 2382939) is 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2nc(N)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DLANDBNUPHBVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine?
4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2382939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).