4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

C13H12N4S2 — CID 103378502

IUPAC4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2nccs2)c1-c1ccccc1
InChIInChI=1S/C13H12N4S2/c14-12-11(9-4-2-1-3-5-9)13(19-17-12)16-8-10-15-6-7-18-10/h1-7,16H,8H2,(H2,14,17)
InChIKeyDFJLIVSLLFIJEP-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.46
Rot. Bonds4

About 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103378502) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103378502
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2nccs2)c1-c1ccccc1
InChIInChI=1S/C13H12N4S2/c14-12-11(9-4-2-1-3-5-9)13(19-17-12)16-8-10-15-6-7-18-10/h1-7,16H,8H2,(H2,14,17)
InChIKeyDFJLIVSLLFIJEP-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103378502) is 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2nccs2)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is DFJLIVSLLFIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c14-12-11(9-4-2-1-3-5-9)13(19-17-12)16-8-10-15-6-7-18-10/h1-7,16H,8H2,(H2,14,17).
What are the key properties of 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 288.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).