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

C13H13N5OS3 — CID 652928

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1
InChIInChI=1S/C13H13N5OS3/c1-8-6-21-12(14-8)15-10(19)7-22-13-17-16-11(18(13)2)9-4-3-5-20-9/h3-6H,7H2,1-2H3,(H,14,15,19)
InChIKeyQSYWFYPCFYMRKV-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.04
Rot. Bonds5

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 652928) has the molecular formula C13H13N5OS3 and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID652928
Molecular FormulaC13H13N5OS3
Molecular Weight351.48 g/mol
Exact Mass351.03
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1
InChIInChI=1S/C13H13N5OS3/c1-8-6-21-12(14-8)15-10(19)7-22-13-17-16-11(18(13)2)9-4-3-5-20-9/h3-6H,7H2,1-2H3,(H,14,15,19)
InChIKeyQSYWFYPCFYMRKV-UHFFFAOYSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 652928) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QSYWFYPCFYMRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS3/c1-8-6-21-12(14-8)15-10(19)7-22-13-17-16-11(18(13)2)9-4-3-5-20-9/h3-6H,7H2,1-2H3,(H,14,15,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 652928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).