4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide

C17H15N3O2S — CID 100775104

IUPAC4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-20(13-6-4-3-5-7-13)17(21)16-15(18-19-23-16)12-8-10-14(22-2)11-9-12/h3-11H,1-2H3
InChIKeyXRUOHLDQTGLOHC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.49
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide

4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide (PubChem CID 100775104) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
PubChem CID100775104
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-20(13-6-4-3-5-7-13)17(21)16-15(18-19-23-16)12-8-10-14(22-2)11-9-12/h3-11H,1-2H3
InChIKeyXRUOHLDQTGLOHC-UHFFFAOYSA-N
XLogP3.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide (CID 100775104) is 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide?
The InChIKey is XRUOHLDQTGLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-20(13-6-4-3-5-7-13)17(21)16-15(18-19-23-16)12-8-10-14(22-2)11-9-12/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide?
4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 100775104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).