N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H20N8O2S — CID 162630847

IUPACN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C17H20N8O2S/c26-16(15(25-12-18-22-23-25)13-4-2-1-3-5-13)19-17-21-20-14(28-17)6-7-24-8-10-27-11-9-24/h1-5,12,15H,6-11H2,(H,19,21,26)
InChIKeyDYPYEPOLSIULOJ-UHFFFAOYSA-N
MW400.47 g/mol
LogP0.63
Rot. Bonds7

About N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 162630847) has the molecular formula C17H20N8O2S and a molecular weight of 400.47 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID162630847
Molecular FormulaC17H20N8O2S
Molecular Weight400.47 g/mol
Exact Mass400.14
IUPAC NameN-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C17H20N8O2S/c26-16(15(25-12-18-22-23-25)13-4-2-1-3-5-13)19-17-21-20-14(28-17)6-7-24-8-10-27-11-9-24/h1-5,12,15H,6-11H2,(H,19,21,26)
InChIKeyDYPYEPOLSIULOJ-UHFFFAOYSA-N
XLogP0.63
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

[3-oxo-2-phenyl-3-[[5-[4-[5-(2-phenylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]propyl] 3-morpholin-4-ylpropanoate
CID 74982548
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155912188
3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946418
2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 157013975
1-(3-morpholin-4-ylazetidin-1-yl)-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 91777788
methyl 2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827924
methyl 5-methyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829082
methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71706326
methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829708
N,N,4-trimethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 163310144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 108766595

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 162630847) is N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(Nc1nnc(CCN2CCOCC2)s1)C(c1ccccc1)n1cnnn1.
What is the InChIKey of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is DYPYEPOLSIULOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2S/c26-16(15(25-12-18-22-23-25)13-4-2-1-3-5-13)19-17-21-20-14(28-17)6-7-24-8-10-27-11-9-24/h1-5,12,15H,6-11H2,(H,19,21,26).
What are the key properties of N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 400.47 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 162630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).