2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H20N4O2S — CID 18195919

IUPAC2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-10(2)8-15-19-20-16(23-15)18-14(22)9-12-4-6-13(7-5-12)17-11(3)21/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyQIZUAIOJVRLZQS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 18195919) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID18195919
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C16H20N4O2S/c1-10(2)8-15-19-20-16(23-15)18-14(22)9-12-4-6-13(7-5-12)17-11(3)21/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyQIZUAIOJVRLZQS-UHFFFAOYSA-N
XLogP2.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 18195919) is 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QIZUAIOJVRLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)8-15-19-20-16(23-15)18-14(22)9-12-4-6-13(7-5-12)17-11(3)21/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 18195919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).