2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C16H20N4OS — CID 47055295

IUPAC2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1ccc2c(c1)CCCN2CC(=O)Nc1nncs1
InChIInChI=1S/C16H20N4OS/c1-11(2)12-5-6-14-13(8-12)4-3-7-20(14)9-15(21)18-16-19-17-10-22-16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,21)
InChIKeyJSTXNSVSADGTCG-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.05
Rot. Bonds4

About 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47055295) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47055295
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1ccc2c(c1)CCCN2CC(=O)Nc1nncs1
InChIInChI=1S/C16H20N4OS/c1-11(2)12-5-6-14-13(8-12)4-3-7-20(14)9-15(21)18-16-19-17-10-22-16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,21)
InChIKeyJSTXNSVSADGTCG-UHFFFAOYSA-N
XLogP3.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 47055295) is 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1ccc2c(c1)CCCN2CC(=O)Nc1nncs1.
What is the InChIKey of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JSTXNSVSADGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(2)12-5-6-14-13(8-12)4-3-7-20(14)9-15(21)18-16-19-17-10-22-16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47055295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).