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

C15H13ClN4O2S — CID 71860913

IUPACN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O2S/c1-8-12(23-7-17-8)14(21)18-9(2)13-19-15(22-20-13)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H,18,21)
InChIKeyVPRGITHIXWLUIN-UHFFFAOYSA-N
MW348.82 g/mol
LogP3.65
Rot. Bonds4

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

N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71860913) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71860913
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O2S/c1-8-12(23-7-17-8)14(21)18-9(2)13-19-15(22-20-13)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H,18,21)
InChIKeyVPRGITHIXWLUIN-UHFFFAOYSA-N
XLogP3.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 71860913) is N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VPRGITHIXWLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-8-12(23-7-17-8)14(21)18-9(2)13-19-15(22-20-13)10-3-5-11(16)6-4-10/h3-7,9H,1-2H3,(H,18,21).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71860913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).