2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H18N6O2S2 — CID 137248137

IUPAC2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1nnc(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)n1CC
InChIInChI=1S/C16H18N6O2S2/c1-3-12-18-21-16(22(12)4-2)25-9-13(24)17-15-20-19-14(26-15)10-5-7-11(23)8-6-10/h5-8,23H,3-4,9H2,1-2H3,(H,17,20,24)
InChIKeySVDBKDXAAHZLJZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.82
Rot. Bonds7

About 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 137248137) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID137248137
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC Name2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCc1nnc(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)n1CC
InChIInChI=1S/C16H18N6O2S2/c1-3-12-18-21-16(22(12)4-2)25-9-13(24)17-15-20-19-14(26-15)10-5-7-11(23)8-6-10/h5-8,23H,3-4,9H2,1-2H3,(H,17,20,24)
InChIKeySVDBKDXAAHZLJZ-UHFFFAOYSA-N
XLogP2.82
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 137248137) is 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCc1nnc(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)n1CC.
What is the InChIKey of 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SVDBKDXAAHZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-3-12-18-21-16(22(12)4-2)25-9-13(24)17-15-20-19-14(26-15)10-5-7-11(23)8-6-10/h5-8,23H,3-4,9H2,1-2H3,(H,17,20,24).
What are the key properties of 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 137248137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).