N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide

C15H10N4O2S — CID 162662447

IUPACN-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C15H10N4O2S/c1-8-13(22-19-18-8)14(20)17-15-16-12-10-5-3-2-4-9(10)6-7-11(12)21-15/h2-7H,1H3,(H,16,17,20)
InChIKeyPCCIVAIBKMFORS-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.39
Rot. Bonds2

About N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide

N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide (PubChem CID 162662447) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide
PubChem CID162662447
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC NameN-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C15H10N4O2S/c1-8-13(22-19-18-8)14(20)17-15-16-12-10-5-3-2-4-9(10)6-7-11(12)21-15/h2-7H,1H3,(H,16,17,20)
InChIKeyPCCIVAIBKMFORS-UHFFFAOYSA-N
XLogP3.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide (CID 162662447) is N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1nc2c(ccc3ccccc32)o1.
What is the InChIKey of N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide?
The InChIKey is PCCIVAIBKMFORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c1-8-13(22-19-18-8)14(20)17-15-16-12-10-5-3-2-4-9(10)6-7-11(12)21-15/h2-7H,1H3,(H,16,17,20).
What are the key properties of N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide?
N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzoxazol-2-yl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 162662447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).