N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide

C17H11N5O2S2 — CID 95379662

IUPACN-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1cnns1
InChIInChI=1S/C17H11N5O2S2/c23-16(14-10-18-22-25-14)20-17-19-15(21-26-17)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H,19,20,21,23)
InChIKeyAWJCUIASHNYIFC-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.10
Rot. Bonds5

About N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide

N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide (PubChem CID 95379662) has the molecular formula C17H11N5O2S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide
PubChem CID95379662
Molecular FormulaC17H11N5O2S2
Molecular Weight381.44 g/mol
Exact Mass381.04
IUPAC NameN-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1cnns1
InChIInChI=1S/C17H11N5O2S2/c23-16(14-10-18-22-25-14)20-17-19-15(21-26-17)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H,19,20,21,23)
InChIKeyAWJCUIASHNYIFC-UHFFFAOYSA-N
XLogP4.10
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide (CID 95379662) is N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide is O=C(Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1)c1cnns1.
What is the InChIKey of N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide?
The InChIKey is AWJCUIASHNYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S2/c23-16(14-10-18-22-25-14)20-17-19-15(21-26-17)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H,19,20,21,23).
What are the key properties of N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide?
N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95379662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).