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

C14H7BrN4O2S2 — CID 42110874

IUPACN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H7BrN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/h1-6H,(H,17,19,20)
InChIKeyHCAYOKWHRDXBOI-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.42
Rot. Bonds3

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

N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 42110874) has the molecular formula C14H7BrN4O2S2 and a molecular weight of 407.27 g/mol. Its IUPAC name is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID42110874
Molecular FormulaC14H7BrN4O2S2
Molecular Weight407.27 g/mol
Exact Mass405.92
IUPAC NameN-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H7BrN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/h1-6H,(H,17,19,20)
InChIKeyHCAYOKWHRDXBOI-UHFFFAOYSA-N
XLogP4.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 42110874) is N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is HCAYOKWHRDXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/h1-6H,(H,17,19,20).
What are the key properties of N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 42110874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).