2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide

C23H22N6O2S2 — CID 74982440

IUPAC2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIInChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31)
InChIKeyCOSPOTYTNSRZGK-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.93
Rot. Bonds10

About 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide

2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74982440) has the molecular formula C23H22N6O2S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID74982440
Molecular FormulaC23H22N6O2S2
Molecular Weight478.60 g/mol
Exact Mass478.12
IUPAC Name2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
InChIInChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31)
InChIKeyCOSPOTYTNSRZGK-UHFFFAOYSA-N
XLogP3.93
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)
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N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
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CID 3120394
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CID 3254349
3,3-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3979946
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219
2-phenyl-N-[5-[(1R,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74223608
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74982440) is 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nnc(CCCc2nnc(NC(=O)Cc3ccccc3)s2)s1.
What is the InChIKey of 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is COSPOTYTNSRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S2/c30-18(14-16-8-3-1-4-9-16)24-22-28-26-20(32-22)12-7-13-21-27-29-23(33-21)25-19(31)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,24,28,30)(H,25,29,31).
What are the key properties of 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 478.60 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]propyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74982440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).