N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide

C17H12N4O2S — CID 71920645

IUPACN-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cnns1
InChIInChI=1S/C17H12N4O2S/c22-17(15-10-18-21-24-15)19-12-6-7-13-14(9-12)23-16(20-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)
InChIKeyBCHPMPMDLYDXCJ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.52
Rot. Bonds4

About N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide

N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide (PubChem CID 71920645) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide
PubChem CID71920645
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide
SMILESO=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cnns1
InChIInChI=1S/C17H12N4O2S/c22-17(15-10-18-21-24-15)19-12-6-7-13-14(9-12)23-16(20-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)
InChIKeyBCHPMPMDLYDXCJ-UHFFFAOYSA-N
XLogP3.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide (CID 71920645) is N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide is O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cnns1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide?
The InChIKey is BCHPMPMDLYDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-17(15-10-18-21-24-15)19-12-6-7-13-14(9-12)23-16(20-13)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide?
N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-6-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71920645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).