N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C13H11N5OS2 — CID 767227

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11N5OS2/c19-11(7-21-12-14-8-15-18-12)17-13-16-10(6-20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,18)(H,16,17,19)
InChIKeyILXFOVSGQBAZGJ-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.66
Rot. Bonds5

About N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 767227) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID767227
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11N5OS2/c19-11(7-21-12-14-8-15-18-12)17-13-16-10(6-20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,18)(H,16,17,19)
InChIKeyILXFOVSGQBAZGJ-UHFFFAOYSA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 767227) is N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ILXFOVSGQBAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c19-11(7-21-12-14-8-15-18-12)17-13-16-10(6-20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15,18)(H,16,17,19).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 317.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 767227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).