N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide

C19H22N6O6S2 — CID 4121070

IUPACN-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1
InChIInChI=1S/C19H22N6O6S2/c1-5-15-23-24-18(33-15)21-13(26)9-32-19-25-22-14(31-19)8-20-17(27)10-6-11(28-2)16(30-4)12(7-10)29-3/h6-7H,5,8-9H2,1-4H3,(H,20,27)(H,21,24,26)
InChIKeyXKVLZHCHSDHTDR-UHFFFAOYSA-N
MW494.56 g/mol
LogP2.17
Rot. Bonds11

About N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide

N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 4121070) has the molecular formula C19H22N6O6S2 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID4121070
Molecular FormulaC19H22N6O6S2
Molecular Weight494.56 g/mol
Exact Mass494.10
IUPAC NameN-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1
InChIInChI=1S/C19H22N6O6S2/c1-5-15-23-24-18(33-15)21-13(26)9-32-19-25-22-14(31-19)8-20-17(27)10-6-11(28-2)16(30-4)12(7-10)29-3/h6-7H,5,8-9H2,1-4H3,(H,20,27)(H,21,24,26)
InChIKeyXKVLZHCHSDHTDR-UHFFFAOYSA-N
XLogP2.17
TPSA150.59 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

3,4,5-trimethoxy-N-({5-[(2-oxo-2-piperidin-1-ylethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)benzamide
CID 3235759
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 665378
3,4,5-trimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077835
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1078875
N-{5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
CID 1364917
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2126515
4-methoxy-N-((5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 3565243
N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-methoxybenzamide
CID 3565538
N-{[5-({[(5-Ethyl-1,3,4-thiadiazol-2-YL)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}-3,4-dimethoxybenzamide
CID 4103229
3,4,5-trimethoxy-N-((5-((2-morpholino-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 4114326
3,4-dimethoxy-N-((5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 4123696
N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4-dimethoxybenzamide
CID 4385654

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide (CID 4121070) is N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide is CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1.
What is the InChIKey of N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is XKVLZHCHSDHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O6S2/c1-5-15-23-24-18(33-15)21-13(26)9-32-19-25-22-14(31-19)8-20-17(27)10-6-11(28-2)16(30-4)12(7-10)29-3/h6-7H,5,8-9H2,1-4H3,(H,20,27)(H,21,24,26).
What are the key properties of N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?
N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 494.56 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4121070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).