4-(4-benzylphenyl)-1,3-thiazol-2-amine

C16H14N2S — CID 3768902

IUPAC4-(4-benzylphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKeyXYDVHKCVOMGRSY-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.98
Rot. Bonds3

About 4-(4-benzylphenyl)-1,3-thiazol-2-amine

4-(4-benzylphenyl)-1,3-thiazol-2-amine (PubChem CID 3768902) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(4-benzylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-benzylphenyl)-1,3-thiazol-2-amine
PubChem CID3768902
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(4-benzylphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKeyXYDVHKCVOMGRSY-UHFFFAOYSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-benzylphenyl)-1,3-thiazol-2-amine (CID 3768902) is 4-(4-benzylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-benzylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-benzylphenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1.
What is the InChIKey of 4-(4-benzylphenyl)-1,3-thiazol-2-amine?
The InChIKey is XYDVHKCVOMGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18).
What are the key properties of 4-(4-benzylphenyl)-1,3-thiazol-2-amine?
4-(4-benzylphenyl)-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3768902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).