N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H23N5OS2 — CID 1457194

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C
InChIInChI=1S/C17H23N5OS2/c1-6-7-22-15(10(2)3)20-21-17(22)24-9-14(23)19-16-13(8-18)11(4)12(5)25-16/h10H,6-7,9H2,1-5H3,(H,19,23)
InChIKeyAXYXIZUUXIVTKN-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.09
Rot. Bonds7

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1457194) has the molecular formula C17H23N5OS2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1457194
Molecular FormulaC17H23N5OS2
Molecular Weight377.54 g/mol
Exact Mass377.13
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C
InChIInChI=1S/C17H23N5OS2/c1-6-7-22-15(10(2)3)20-21-17(22)24-9-14(23)19-16-13(8-18)11(4)12(5)25-16/h10H,6-7,9H2,1-5H3,(H,19,23)
InChIKeyAXYXIZUUXIVTKN-UHFFFAOYSA-N
XLogP4.09
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1457194) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AXYXIZUUXIVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS2/c1-6-7-22-15(10(2)3)20-21-17(22)24-9-14(23)19-16-13(8-18)11(4)12(5)25-16/h10H,6-7,9H2,1-5H3,(H,19,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 377.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1457194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).