N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H16N4O2S — CID 652450

IUPACN-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H16N4O2S/c1-10(19)18(9-11-5-4-8-20-11)14-17-16-13(21-14)12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyOXQUVSVHJMTQHE-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.13
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide

N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 652450) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID652450
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC NameN-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H16N4O2S/c1-10(19)18(9-11-5-4-8-20-11)14-17-16-13(21-14)12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyOXQUVSVHJMTQHE-UHFFFAOYSA-N
XLogP2.13
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 652450) is N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OXQUVSVHJMTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10(19)18(9-11-5-4-8-20-11)14-17-16-13(21-14)12-6-2-3-7-15-12/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 652450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).