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

C14H6Cl2N4O2S2 — CID 43972920

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C14H6Cl2N4O2S2/c15-9-5-6(10(16)24-9)12-19-20-14(22-12)18-11(21)13-17-7-3-1-2-4-8(7)23-13/h1-5H,(H,18,20,21)
InChIKeyURFLUTIHTCILLP-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-2-carboxamide

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 43972920) 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-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID43972920
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-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1
InChIInChI=1S/C14H6Cl2N4O2S2/c15-9-5-6(10(16)24-9)12-19-20-14(22-12)18-11(21)13-17-7-3-1-2-4-8(7)23-13/h1-5H,(H,18,20,21)
InChIKeyURFLUTIHTCILLP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-2-carboxamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 43972920) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is URFLUTIHTCILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2N4O2S2/c15-9-5-6(10(16)24-9)12-19-20-14(22-12)18-11(21)13-17-7-3-1-2-4-8(7)23-13/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-2-carboxamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-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-2-carboxamide is sourced from PubChem (CID 43972920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).