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

C13H10ClN5O2S — CID 124516267

IUPACN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cnns2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H10ClN5O2S/c1-7-16-12(18-21-7)11(8-2-4-9(14)5-3-8)17-13(20)10-6-15-19-22-10/h2-6,11H,1H3,(H,17,20)/t11-/m0/s1
InChIKeyCJJBEDUGCFCHJK-NSHDSACASA-N
MW335.78 g/mol
LogP2.40
Rot. Bonds4

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

N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 124516267) has the molecular formula C13H10ClN5O2S and a molecular weight of 335.78 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide
PubChem CID124516267
Molecular FormulaC13H10ClN5O2S
Molecular Weight335.78 g/mol
Exact Mass335.02
IUPAC NameN-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nc([C@@H](NC(=O)c2cnns2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H10ClN5O2S/c1-7-16-12(18-21-7)11(8-2-4-9(14)5-3-8)17-13(20)10-6-15-19-22-10/h2-6,11H,1H3,(H,17,20)/t11-/m0/s1
InChIKeyCJJBEDUGCFCHJK-NSHDSACASA-N
XLogP2.40
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide (CID 124516267) is N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide is Cc1nc([C@@H](NC(=O)c2cnns2)c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is CJJBEDUGCFCHJK-NSHDSACASA-N. The full InChI is InChI=1S/C13H10ClN5O2S/c1-7-16-12(18-21-7)11(8-2-4-9(14)5-3-8)17-13(20)10-6-15-19-22-10/h2-6,11H,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide?
N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 335.78 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124516267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).