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

C12H14N4OS2 — CID 6468272

IUPACN-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CC2)nnc1-c1cccs1
InChIInChI=1S/C12H14N4OS2/c1-16-11(9-3-2-6-18-9)14-15-12(16)19-7-10(17)13-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,17)
InChIKeyBSAYFSNNJNVBOJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.91
Rot. Bonds5

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

N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6468272) has the molecular formula C12H14N4OS2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6468272
Molecular FormulaC12H14N4OS2
Molecular Weight294.40 g/mol
Exact Mass294.06
IUPAC NameN-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CC2)nnc1-c1cccs1
InChIInChI=1S/C12H14N4OS2/c1-16-11(9-3-2-6-18-9)14-15-12(16)19-7-10(17)13-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,17)
InChIKeyBSAYFSNNJNVBOJ-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.91
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-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6468272) is N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)NC2CC2)nnc1-c1cccs1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is BSAYFSNNJNVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-16-11(9-3-2-6-18-9)14-15-12(16)19-7-10(17)13-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6468272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).