2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H10FN5OS — CID 155569390

IUPAC2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)nn1)Nc1nccs1
InChIInChI=1S/C13H10FN5OS/c14-10-3-1-9(2-4-10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeySVXCOWHCNNNPRR-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155569390) has the molecular formula C13H10FN5OS and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155569390
Molecular FormulaC13H10FN5OS
Molecular Weight303.32 g/mol
Exact Mass303.06
IUPAC Name2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)nn1)Nc1nccs1
InChIInChI=1S/C13H10FN5OS/c14-10-3-1-9(2-4-10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20)
InChIKeySVXCOWHCNNNPRR-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155569390) is 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(-c2ccc(F)cc2)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SVXCOWHCNNNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5OS/c14-10-3-1-9(2-4-10)11-7-19(18-17-11)8-12(20)16-13-15-5-6-21-13/h1-7H,8H2,(H,15,16,20).
What are the key properties of 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155569390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).