N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide

C14H9N5O2S — CID 171781531

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide
SMILESCc1nnc(NC(=O)c2onc3c2ccc2cccnc23)s1
InChIInChI=1S/C14H9N5O2S/c1-7-17-18-14(22-7)16-13(20)12-9-5-4-8-3-2-6-15-10(8)11(9)19-21-12/h2-6H,1H3,(H,16,18,20)
InChIKeyVYJGVXODEDUBNT-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.79
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide (PubChem CID 171781531) has the molecular formula C14H9N5O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide
PubChem CID171781531
Molecular FormulaC14H9N5O2S
Molecular Weight311.33 g/mol
Exact Mass311.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide
SMILESCc1nnc(NC(=O)c2onc3c2ccc2cccnc23)s1
InChIInChI=1S/C14H9N5O2S/c1-7-17-18-14(22-7)16-13(20)12-9-5-4-8-3-2-6-15-10(8)11(9)19-21-12/h2-6H,1H3,(H,16,18,20)
InChIKeyVYJGVXODEDUBNT-UHFFFAOYSA-N
XLogP2.79
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide (CID 171781531) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide is Cc1nnc(NC(=O)c2onc3c2ccc2cccnc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide?
The InChIKey is VYJGVXODEDUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2S/c1-7-17-18-14(22-7)16-13(20)12-9-5-4-8-3-2-6-15-10(8)11(9)19-21-12/h2-6H,1H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[4,3-h]quinoline-3-carboxamide is sourced from PubChem (CID 171781531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).