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

C17H18N6O2S2 — CID 137246147

IUPAC2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1c(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)nnc1C1CC1
InChIInChI=1S/C17H18N6O2S2/c1-2-23-14(10-3-4-10)19-22-17(23)26-9-13(25)18-16-21-20-15(27-16)11-5-7-12(24)8-6-11/h5-8,10,24H,2-4,9H2,1H3,(H,18,21,25)
InChIKeyCBNMTESHPFMBOP-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.13
Rot. Bonds7

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

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 137246147) has the molecular formula C17H18N6O2S2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID137246147
Molecular FormulaC17H18N6O2S2
Molecular Weight402.51 g/mol
Exact Mass402.09
IUPAC Name2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1c(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)nnc1C1CC1
InChIInChI=1S/C17H18N6O2S2/c1-2-23-14(10-3-4-10)19-22-17(23)26-9-13(25)18-16-21-20-15(27-16)11-5-7-12(24)8-6-11/h5-8,10,24H,2-4,9H2,1H3,(H,18,21,25)
InChIKeyCBNMTESHPFMBOP-UHFFFAOYSA-N
XLogP3.13
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 137246147) is 2-[(5-cyclopropyl-4-ethyl-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-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCn1c(SCC(=O)Nc2nnc(-c3ccc(O)cc3)s2)nnc1C1CC1.
What is the InChIKey of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is CBNMTESHPFMBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S2/c1-2-23-14(10-3-4-10)19-22-17(23)26-9-13(25)18-16-21-20-15(27-16)11-5-7-12(24)8-6-11/h5-8,10,24H,2-4,9H2,1H3,(H,18,21,25).
What are the key properties of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 402.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 137246147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).