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

C25H24N6O2S2 — CID 90163200

IUPAC2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1
InChIInChI=1S/C25H24N6O2S2/c32-20(13-16-7-3-1-4-8-16)26-24-30-28-22(34-24)18-11-12-19(15-18)23-29-31-25(35-23)27-21(33)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30,32)(H,27,31,33)/t18-,19+
InChIKeyUJQPKROQGZGGIP-KDURUIRLSA-N
MW504.64 g/mol
LogP4.80
Rot. Bonds8

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

2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90163200) has the molecular formula C25H24N6O2S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID90163200
Molecular FormulaC25H24N6O2S2
Molecular Weight504.64 g/mol
Exact Mass504.14
IUPAC Name2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1
InChIInChI=1S/C25H24N6O2S2/c32-20(13-16-7-3-1-4-8-16)26-24-30-28-22(34-24)18-11-12-19(15-18)23-29-31-25(35-23)27-21(33)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30,32)(H,27,31,33)/t18-,19+
InChIKeyUJQPKROQGZGGIP-KDURUIRLSA-N
XLogP4.80
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 90163194

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90163200) is 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccc4)s3)C2)s1.
What is the InChIKey of 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UJQPKROQGZGGIP-KDURUIRLSA-N. The full InChI is InChI=1S/C25H24N6O2S2/c32-20(13-16-7-3-1-4-8-16)26-24-30-28-22(34-24)18-11-12-19(15-18)23-29-31-25(35-23)27-21(33)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,26,30,32)(H,27,31,33)/t18-,19+.
What are the key properties of 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 504.64 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[(1S,3R)-3-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90163200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).