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

C25H24N6O4S2 — CID 90186082

IUPAC(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Nc1nnc([C@H]2CC[C@H](c3nnc(NC(=O)[C@H](O)c4ccccc4)s3)C2)s1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H24N6O4S2/c32-18(14-7-3-1-4-8-14)20(34)26-24-30-28-22(36-24)16-11-12-17(13-16)23-29-31-25(37-23)27-21(35)19(33)15-9-5-2-6-10-15/h1-10,16-19,32-33H,11-13H2,(H,26,30,34)(H,27,31,35)/t16-,17-,18+,19+/m0/s1
InChIKeyARAYZDHPHKAXGX-INDMIFKZSA-N
MW536.64 g/mol
LogP3.79
Rot. Bonds8

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

(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 90186082) has the molecular formula C25H24N6O4S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID90186082
Molecular FormulaC25H24N6O4S2
Molecular Weight536.64 g/mol
Exact Mass536.13
IUPAC Name(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Nc1nnc([C@H]2CC[C@H](c3nnc(NC(=O)[C@H](O)c4ccccc4)s3)C2)s1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H24N6O4S2/c32-18(14-7-3-1-4-8-14)20(34)26-24-30-28-22(36-24)16-11-12-17(13-16)23-29-31-25(37-23)27-21(35)19(33)15-9-5-2-6-10-15/h1-10,16-19,32-33H,11-13H2,(H,26,30,34)(H,27,31,35)/t16-,17-,18+,19+/m0/s1
InChIKeyARAYZDHPHKAXGX-INDMIFKZSA-N
XLogP3.79
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123387917
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118435976
(2R)-N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-hydroxy-2-phenylacetamide
CID 90186070
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070
2-(2-aminophenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163237
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 42940881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 90186082) is (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Nc1nnc([C@H]2CC[C@H](c3nnc(NC(=O)[C@H](O)c4ccccc4)s3)C2)s1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is ARAYZDHPHKAXGX-INDMIFKZSA-N. The full InChI is InChI=1S/C25H24N6O4S2/c32-18(14-7-3-1-4-8-14)20(34)26-24-30-28-22(36-24)16-11-12-17(13-16)23-29-31-25(37-23)27-21(35)19(33)15-9-5-2-6-10-15/h1-10,16-19,32-33H,11-13H2,(H,26,30,34)(H,27,31,35)/t16-,17-,18+,19+/m0/s1.
What are the key properties of (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 536.64 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 90186082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).