2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C14H19N5OS — CID 4835327

IUPAC2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(CC(C)c2ccccc2)n1N)C(N)=O
InChIInChI=1S/C14H19N5OS/c1-9(11-6-4-3-5-7-11)8-12-17-18-14(19(12)16)21-10(2)13(15)20/h3-7,9-10H,8,16H2,1-2H3,(H2,15,20)
InChIKeyLYFOBQVCSCRAOR-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.30
Rot. Bonds6

About 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 4835327) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID4835327
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCC(Sc1nnc(CC(C)c2ccccc2)n1N)C(N)=O
InChIInChI=1S/C14H19N5OS/c1-9(11-6-4-3-5-7-11)8-12-17-18-14(19(12)16)21-10(2)13(15)20/h3-7,9-10H,8,16H2,1-2H3,(H2,15,20)
InChIKeyLYFOBQVCSCRAOR-UHFFFAOYSA-N
XLogP1.30
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-ylthio]acetamide
CID 6465714
2-{[4-ethyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 6469698
2-{[4-allyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 6470018
2-(5-Benzyl-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-tert-butyl-acetamide
CID 648175
2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-phenethyl-acetamide
CID 649287
N-tert-Butyl-2-(5-methyl-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650636
2-{[5-methyl-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 864315
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide
CID 2601875
N-benzyl-2-[(5-isobutyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 974983
N-(2-phenylethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855225
3-Cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
CID 937801
2-[[4-Amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 4851769

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 4835327) is 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is CC(Sc1nnc(CC(C)c2ccccc2)n1N)C(N)=O.
What is the InChIKey of 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is LYFOBQVCSCRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9(11-6-4-3-5-7-11)8-12-17-18-14(19(12)16)21-10(2)13(15)20/h3-7,9-10H,8,16H2,1-2H3,(H2,15,20).
What are the key properties of 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 305.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 4835327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).