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

C14H16N4OS — CID 894727

IUPACN-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC2)n1-c1ccccc1
InChIInChI=1S/C14H16N4OS/c1-10-16-17-14(18(10)12-5-3-2-4-6-12)20-9-13(19)15-11-7-8-11/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyMMHRJBYDCZPSIG-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.95
Rot. Bonds5

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

N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 894727) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID894727
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC2)n1-c1ccccc1
InChIInChI=1S/C14H16N4OS/c1-10-16-17-14(18(10)12-5-3-2-4-6-12)20-9-13(19)15-11-7-8-11/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKeyMMHRJBYDCZPSIG-UHFFFAOYSA-N
XLogP1.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 894727) is N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CC2)n1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MMHRJBYDCZPSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-16-17-14(18(10)12-5-3-2-4-6-12)20-9-13(19)15-11-7-8-11/h2-6,11H,7-9H2,1H3,(H,15,19).
What are the key properties of N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 288.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 894727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).