N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide

C20H23N7O3S2 — CID 155523816

IUPACN-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(N2CCC(Oc3nnc(NC(=O)Cc4ccccc4)s3)CC2)s1
InChIInChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
InChIKeyUMCWGKIMDJUTMJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.97
Rot. Bonds8

About N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 155523816) has the molecular formula C20H23N7O3S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID155523816
Molecular FormulaC20H23N7O3S2
Molecular Weight473.58 g/mol
Exact Mass473.13
IUPAC NameN-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(N2CCC(Oc3nnc(NC(=O)Cc4ccccc4)s3)CC2)s1
InChIInChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29)
InChIKeyUMCWGKIMDJUTMJ-UHFFFAOYSA-N
XLogP2.97
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-phenyl-N-[5-[(3S)-3-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118988617
2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256477
2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256426
2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 121256380
tert-butyl 4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate
CID 176899157
N-[5-[[1-[5-[(3-oxo-2-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 138701688
methyl 4-[[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]benzoate
CID 176899158
N-[5-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]azetidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256395
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-[6-[1-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxypyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 121256470
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144878488

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide (CID 155523816) is N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(N2CCC(Oc3nnc(NC(=O)Cc4ccccc4)s3)CC2)s1.
What is the InChIKey of N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is UMCWGKIMDJUTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S2/c1-2-15(28)21-17-23-25-19(31-17)27-10-8-14(9-11-27)30-20-26-24-18(32-20)22-16(29)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,21,23,28)(H,22,24,29).
What are the key properties of N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 473.58 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 155523816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).