N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H19N5O3S — CID 11957197

IUPACN-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCN(c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)CC1
InChIInChI=1S/C17H19N5O3S/c1-11-6-8-21(9-7-11)16-20-19-15(26-16)18-14(23)10-22-12-4-2-3-5-13(12)25-17(22)24/h2-5,11H,6-10H2,1H3,(H,18,19,23)
InChIKeyNBXVDFXOBDFHKY-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.32
Rot. Bonds4

About N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 11957197) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID11957197
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCN(c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)CC1
InChIInChI=1S/C17H19N5O3S/c1-11-6-8-21(9-7-11)16-20-19-15(26-16)18-14(23)10-22-12-4-2-3-5-13(12)25-17(22)24/h2-5,11H,6-10H2,1H3,(H,18,19,23)
InChIKeyNBXVDFXOBDFHKY-UHFFFAOYSA-N
XLogP2.32
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 11957197) is N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC1CCN(c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)CC1.
What is the InChIKey of N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NBXVDFXOBDFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-6-8-21(9-7-11)16-20-19-15(26-16)18-14(23)10-22-12-4-2-3-5-13(12)25-17(22)24/h2-5,11H,6-10H2,1H3,(H,18,19,23).
What are the key properties of N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 373.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 11957197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).