N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide

C14H13N5OS — CID 24506399

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C14H13N5OS/c1-8(2)13-18-19-14(21-13)17-12(20)11-7-15-9-5-3-4-6-10(9)16-11/h3-8H,1-2H3,(H,17,19,20)
InChIKeyRWZWFVKPDUWBPQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.86
Rot. Bonds3

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide (PubChem CID 24506399) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
PubChem CID24506399
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C14H13N5OS/c1-8(2)13-18-19-14(21-13)17-12(20)11-7-15-9-5-3-4-6-10(9)16-11/h3-8H,1-2H3,(H,17,19,20)
InChIKeyRWZWFVKPDUWBPQ-UHFFFAOYSA-N
XLogP2.86
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide (CID 24506399) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide is CC(C)c1nnc(NC(=O)c2cnc3ccccc3n2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The InChIKey is RWZWFVKPDUWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8(2)13-18-19-14(21-13)17-12(20)11-7-15-9-5-3-4-6-10(9)16-11/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 24506399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).