2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C17H18FN5OS2 — CID 6500265

IUPAC2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnc(-c2ccccc2F)n1C(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C17H18FN5OS2/c1-10(2)23-14(12-6-4-5-7-13(12)18)21-22-17(23)26-11(3)15(24)20-16-19-8-9-25-16/h4-11H,1-3H3,(H,19,20,24)
InChIKeySAHDADUDWYIZGE-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.24
Rot. Bonds6

About 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 6500265) has the molecular formula C17H18FN5OS2 and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID6500265
Molecular FormulaC17H18FN5OS2
Molecular Weight391.50 g/mol
Exact Mass391.09
IUPAC Name2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnc(-c2ccccc2F)n1C(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C17H18FN5OS2/c1-10(2)23-14(12-6-4-5-7-13(12)18)21-22-17(23)26-11(3)15(24)20-16-19-8-9-25-16/h4-11H,1-3H3,(H,19,20,24)
InChIKeySAHDADUDWYIZGE-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 6500265) is 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1nnc(-c2ccccc2F)n1C(C)C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SAHDADUDWYIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS2/c1-10(2)23-14(12-6-4-5-7-13(12)18)21-22-17(23)26-11(3)15(24)20-16-19-8-9-25-16/h4-11H,1-3H3,(H,19,20,24).
What are the key properties of 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6500265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).