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

C14H6Cl2N4O2S2 — CID 43972857

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H6Cl2N4O2S2/c15-10-4-7(11(16)24-10)13-19-20-14(22-13)18-12(21)6-1-2-8-9(3-6)23-5-17-8/h1-5H,(H,18,20,21)
InChIKeyQZFWFFMUUVDBHY-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.97
Rot. Bonds3

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

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 43972857) has the molecular formula C14H6Cl2N4O2S2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID43972857
Molecular FormulaC14H6Cl2N4O2S2
Molecular Weight397.27 g/mol
Exact Mass395.93
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H6Cl2N4O2S2/c15-10-4-7(11(16)24-10)13-19-20-14(22-13)18-12(21)6-1-2-8-9(3-6)23-5-17-8/h1-5H,(H,18,20,21)
InChIKeyQZFWFFMUUVDBHY-UHFFFAOYSA-N
XLogP4.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 43972857) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QZFWFFMUUVDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2N4O2S2/c15-10-4-7(11(16)24-10)13-19-20-14(22-13)18-12(21)6-1-2-8-9(3-6)23-5-17-8/h1-5H,(H,18,20,21).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 43972857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).