5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C12H8ClN5O2S — CID 80618296

IUPAC5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H8ClN5O2S/c1-6-2-3-7(10-16-14-5-20-10)4-8(6)15-9(19)11-17-18-12(13)21-11/h2-5H,1H3,(H,15,19)
InChIKeySNGWVNJMJQFGSO-UHFFFAOYSA-N
MW321.75 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618296) has the molecular formula C12H8ClN5O2S and a molecular weight of 321.75 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618296
Molecular FormulaC12H8ClN5O2S
Molecular Weight321.75 g/mol
Exact Mass321.01
IUPAC Name5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H8ClN5O2S/c1-6-2-3-7(10-16-14-5-20-10)4-8(6)15-9(19)11-17-18-12(13)21-11/h2-5H,1H3,(H,15,19)
InChIKeySNGWVNJMJQFGSO-UHFFFAOYSA-N
XLogP2.80
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618296) is 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SNGWVNJMJQFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O2S/c1-6-2-3-7(10-16-14-5-20-10)4-8(6)15-9(19)11-17-18-12(13)21-11/h2-5H,1H3,(H,15,19).
What are the key properties of 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 321.75 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).