N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H18N4OS2 — CID 6468067

IUPACN-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CC2)nnc1-c1csc(C)c1
InChIInChI=1S/C14H18N4OS2/c1-3-18-13(10-6-9(2)20-7-10)16-17-14(18)21-8-12(19)15-11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyJEKNYLJYZCNDJD-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.71
Rot. Bonds6

About N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6468067) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6468067
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC NameN-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CC2)nnc1-c1csc(C)c1
InChIInChI=1S/C14H18N4OS2/c1-3-18-13(10-6-9(2)20-7-10)16-17-14(18)21-8-12(19)15-11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyJEKNYLJYZCNDJD-UHFFFAOYSA-N
XLogP2.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6468067) is N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(=O)NC2CC2)nnc1-c1csc(C)c1.
What is the InChIKey of N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JEKNYLJYZCNDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-3-18-13(10-6-9(2)20-7-10)16-17-14(18)21-8-12(19)15-11-4-5-11/h6-7,11H,3-5,8H2,1-2H3,(H,15,19).
What are the key properties of N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6468067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).