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

C15H13N3OS3 — CID 2968250

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C15H13N3OS3/c1-10-7-21-15(16-10)22-9-13(19)18-14-17-12(8-20-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyHQOCCUAIRPOHNQ-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.31
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2968250) has the molecular formula C15H13N3OS3 and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2968250
Molecular FormulaC15H13N3OS3
Molecular Weight347.49 g/mol
Exact Mass347.02
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C15H13N3OS3/c1-10-7-21-15(16-10)22-9-13(19)18-14-17-12(8-20-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyHQOCCUAIRPOHNQ-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2968250) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HQOCCUAIRPOHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS3/c1-10-7-21-15(16-10)22-9-13(19)18-14-17-12(8-20-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2968250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).