4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine

C15H13N3S — CID 82342174

IUPAC4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)c(N)s1
InChIInChI=1S/C15H13N3S/c16-14-13(18-15(17)19-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18)
InChIKeyACHWUCPCRSIONH-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.64
Rot. Bonds2

About 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine

4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 82342174) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
PubChem CID82342174
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)c(N)s1
InChIInChI=1S/C15H13N3S/c16-14-13(18-15(17)19-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18)
InChIKeyACHWUCPCRSIONH-UHFFFAOYSA-N
XLogP3.64
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine (CID 82342174) is 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine is Nc1nc(-c2ccc(-c3ccccc3)cc2)c(N)s1.
What is the InChIKey of 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is ACHWUCPCRSIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-14-13(18-15(17)19-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18).
What are the key properties of 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine?
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 267.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82342174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).