2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C15H14FN5OS2 — CID 8567169

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESNn1cnnc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H14FN5OS2/c16-11-5-3-10(4-6-11)14(12-2-1-7-23-12)19-13(22)8-24-15-20-18-9-21(15)17/h1-7,9,14H,8,17H2,(H,19,22)/t14-/m1/s1
InChIKeyNLVOUVIUZMYONB-CQSZACIVSA-N
MW363.44 g/mol
LogP2.19
Rot. Bonds6

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 8567169) has the molecular formula C15H14FN5OS2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID8567169
Molecular FormulaC15H14FN5OS2
Molecular Weight363.44 g/mol
Exact Mass363.06
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESNn1cnnc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H14FN5OS2/c16-11-5-3-10(4-6-11)14(12-2-1-7-23-12)19-13(22)8-24-15-20-18-9-21(15)17/h1-7,9,14H,8,17H2,(H,19,22)/t14-/m1/s1
InChIKeyNLVOUVIUZMYONB-CQSZACIVSA-N
XLogP2.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 8567169) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is Nn1cnnc1SCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is NLVOUVIUZMYONB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FN5OS2/c16-11-5-3-10(4-6-11)14(12-2-1-7-23-12)19-13(22)8-24-15-20-18-9-21(15)17/h1-7,9,14H,8,17H2,(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 8567169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).