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

C17H12N4O2S2 — CID 7577896

IUPACN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCSc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1
InChIInChI=1S/C17H12N4O2S2/c1-24-12-8-4-2-6-10(12)15-20-21-17(23-15)19-14(22)16-18-11-7-3-5-9-13(11)25-16/h2-9H,1H3,(H,19,21,22)
InChIKeyVLANCYUXBCHMTM-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.32
Rot. Bonds4

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

N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 7577896) has the molecular formula C17H12N4O2S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID7577896
Molecular FormulaC17H12N4O2S2
Molecular Weight368.44 g/mol
Exact Mass368.04
IUPAC NameN-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESCSc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1
InChIInChI=1S/C17H12N4O2S2/c1-24-12-8-4-2-6-10(12)15-20-21-17(23-15)19-14(22)16-18-11-7-3-5-9-13(11)25-16/h2-9H,1H3,(H,19,21,22)
InChIKeyVLANCYUXBCHMTM-UHFFFAOYSA-N
XLogP4.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 7577896) is N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is CSc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1.
What is the InChIKey of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is VLANCYUXBCHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S2/c1-24-12-8-4-2-6-10(12)15-20-21-17(23-15)19-14(22)16-18-11-7-3-5-9-13(11)25-16/h2-9H,1H3,(H,19,21,22).
What are the key properties of N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 7577896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).