2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

C19H16FN5OS — CID 71795543

IUPAC2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C19H16FN5OS/c1-12-17(27-19(22-12)13-6-2-3-7-14(13)20)10-21-18(26)11-25-16-9-5-4-8-15(16)23-24-25/h2-9H,10-11H2,1H3,(H,21,26)
InChIKeyDQXPXSLKMMTKSJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.32
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 71795543) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID71795543
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C19H16FN5OS/c1-12-17(27-19(22-12)13-6-2-3-7-14(13)20)10-21-18(26)11-25-16-9-5-4-8-15(16)23-24-25/h2-9H,10-11H2,1H3,(H,21,26)
InChIKeyDQXPXSLKMMTKSJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (CID 71795543) is 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is Cc1nc(-c2ccccc2F)sc1CNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is DQXPXSLKMMTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-12-17(27-19(22-12)13-6-2-3-7-14(13)20)10-21-18(26)11-25-16-9-5-4-8-15(16)23-24-25/h2-9H,10-11H2,1H3,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71795543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).