N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C14H12N4O2S2 — CID 2476992

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H12N4O2S2/c1-9-7-21-13(15-9)16-11(19)8-22-14-18-17-12(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyRNQSANYDUDXBMO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.23
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2476992) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2476992
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H12N4O2S2/c1-9-7-21-13(15-9)16-11(19)8-22-14-18-17-12(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,19)
InChIKeyRNQSANYDUDXBMO-UHFFFAOYSA-N
XLogP3.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2476992) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RNQSANYDUDXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-9-7-21-13(15-9)16-11(19)8-22-14-18-17-12(20-14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2476992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).