2-benzhydryl-1,3-thiazol-4-amine

C16H14N2S — CID 2882470

IUPAC2-benzhydryl-1,3-thiazol-4-amine
SMILESNc1csc(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H14N2S/c17-14-11-19-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,17H2
InChIKeyDUUZMBXMNDQVIX-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.91
Rot. Bonds3

About 2-benzhydryl-1,3-thiazol-4-amine

2-benzhydryl-1,3-thiazol-4-amine (PubChem CID 2882470) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-benzhydryl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-benzhydryl-1,3-thiazol-4-amine
PubChem CID2882470
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-benzhydryl-1,3-thiazol-4-amine
SMILESNc1csc(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C16H14N2S/c17-14-11-19-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,17H2
InChIKeyDUUZMBXMNDQVIX-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1,3-thiazol-4-amine?
The IUPAC name of 2-benzhydryl-1,3-thiazol-4-amine (CID 2882470) is 2-benzhydryl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-benzhydryl-1,3-thiazol-4-amine?
The canonical SMILES for 2-benzhydryl-1,3-thiazol-4-amine is Nc1csc(C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-benzhydryl-1,3-thiazol-4-amine?
The InChIKey is DUUZMBXMNDQVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-14-11-19-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,17H2.
What are the key properties of 2-benzhydryl-1,3-thiazol-4-amine?
2-benzhydryl-1,3-thiazol-4-amine has a molecular weight of 266.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1,3-thiazol-4-amine is sourced from PubChem (CID 2882470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).