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

C15H18N4OS — CID 651597

IUPACN-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1
InChIInChI=1S/C15H18N4OS/c1-19-14(12-7-8-12)17-18-15(19)21-10-13(20)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,20)
InChIKeyHMHCOVBOGBHPIW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.10
Rot. Bonds6

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

N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 651597) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID651597
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1
InChIInChI=1S/C15H18N4OS/c1-19-14(12-7-8-12)17-18-15(19)21-10-13(20)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,20)
InChIKeyHMHCOVBOGBHPIW-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 651597) is N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1.
What is the InChIKey of N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HMHCOVBOGBHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19-14(12-7-8-12)17-18-15(19)21-10-13(20)16-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,20).
What are the key properties of N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 651597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).