N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide

C15H11N7O2S — CID 90602681

IUPACN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)cs1
InChIInChI=1S/C15H11N7O2S/c1-9-17-12(8-25-9)14-19-20-15(24-14)18-13(23)11-7-16-22(21-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23)
InChIKeyRMUHFUKNUXHNIC-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.33
Rot. Bonds4

About N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide

N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide (PubChem CID 90602681) has the molecular formula C15H11N7O2S and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
PubChem CID90602681
Molecular FormulaC15H11N7O2S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC NameN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
SMILESCc1nc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)cs1
InChIInChI=1S/C15H11N7O2S/c1-9-17-12(8-25-9)14-19-20-15(24-14)18-13(23)11-7-16-22(21-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23)
InChIKeyRMUHFUKNUXHNIC-UHFFFAOYSA-N
XLogP2.33
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 56764401
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenylbutanamide
CID 90602825
2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
CID 122286360
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 90602823
2-ethoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 90602796
2-(1-methylindol-3-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602717

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide (CID 90602681) is N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide is Cc1nc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)n3)o2)cs1.
What is the InChIKey of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
The InChIKey is RMUHFUKNUXHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2S/c1-9-17-12(8-25-9)14-19-20-15(24-14)18-13(23)11-7-16-22(21-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,20,23).
What are the key properties of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide?
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 90602681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).