2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

C18H14N4S2 — CID 4879558

IUPAC2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
SMILESc1ccc(-c2ncc(CSc3nncn3-c3ccccc3)s2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-19-11-16(24-17)12-23-18-21-20-13-22(18)15-9-5-2-6-10-15/h1-11,13H,12H2
InChIKeyLCTDOMJBWSMMAK-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.68
Rot. Bonds5

About 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 4879558) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID4879558
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
SMILESc1ccc(-c2ncc(CSc3nncn3-c3ccccc3)s2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-19-11-16(24-17)12-23-18-21-20-13-22(18)15-9-5-2-6-10-15/h1-11,13H,12H2
InChIKeyLCTDOMJBWSMMAK-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole (CID 4879558) is 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole is c1ccc(-c2ncc(CSc3nncn3-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is LCTDOMJBWSMMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-3-7-14(8-4-1)17-19-11-16(24-17)12-23-18-21-20-13-22(18)15-9-5-2-6-10-15/h1-11,13H,12H2.
What are the key properties of 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 350.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 4879558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).