N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C15H10N4O2S2 — CID 42110021

IUPACN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C15H10N4O2S2/c20-14(9-3-4-11-12(6-9)23-8-16-11)17-15-19-18-13(21-15)7-10-2-1-5-22-10/h1-6,8H,7H2,(H,17,19,20)
InChIKeyKNGBHQRTRFBHQY-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.58
Rot. Bonds4

About N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 42110021) has the molecular formula C15H10N4O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID42110021
Molecular FormulaC15H10N4O2S2
Molecular Weight342.41 g/mol
Exact Mass342.02
IUPAC NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C15H10N4O2S2/c20-14(9-3-4-11-12(6-9)23-8-16-11)17-15-19-18-13(21-15)7-10-2-1-5-22-10/h1-6,8H,7H2,(H,17,19,20)
InChIKeyKNGBHQRTRFBHQY-UHFFFAOYSA-N
XLogP3.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 42110021) is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(Cc2cccs2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is KNGBHQRTRFBHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S2/c20-14(9-3-4-11-12(6-9)23-8-16-11)17-15-19-18-13(21-15)7-10-2-1-5-22-10/h1-6,8H,7H2,(H,17,19,20).
What are the key properties of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 42110021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).