N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H20N4OS2 — CID 2117768

IUPACN,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)N(C(=O)CSc1n[nH]c(-c2cccs2)n1)C(C)C
InChIInChI=1S/C14H20N4OS2/c1-9(2)18(10(3)4)12(19)8-21-14-15-13(16-17-14)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,15,16,17)
InChIKeyFYQBMCQIEIRSJI-UHFFFAOYSA-N
MW324.48 g/mol
LogP3.27
Rot. Bonds6

About N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2117768) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2117768
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC NameN,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)N(C(=O)CSc1n[nH]c(-c2cccs2)n1)C(C)C
InChIInChI=1S/C14H20N4OS2/c1-9(2)18(10(3)4)12(19)8-21-14-15-13(16-17-14)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,15,16,17)
InChIKeyFYQBMCQIEIRSJI-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2117768) is N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)N(C(=O)CSc1n[nH]c(-c2cccs2)n1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is FYQBMCQIEIRSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9(2)18(10(3)4)12(19)8-21-14-15-13(16-17-14)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,15,16,17).
What are the key properties of N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 324.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2117768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).