(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide

C26H28N8O2S2 — CID 126610945

IUPAC(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](C(=O)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(NC(=O)[C@H](C)c4cccnc4)s3)C2)s1)c1cccnc1
InChIInChI=1S/C26H28N8O2S2/c1-15(19-5-3-9-27-13-19)22(35)29-25-33-31-21(37-25)12-17-7-8-18(11-17)24-32-34-26(38-24)30-23(36)16(2)20-6-4-10-28-14-20/h3-6,9-10,13-18H,7-8,11-12H2,1-2H3,(H,29,33,35)(H,30,34,36)/t15-,16-,17+,18-/m1/s1
InChIKeyBZQOGWQFPWSKMT-ZJPYXAASSA-N
MW548.70 g/mol
LogP4.79
Rot. Bonds9

About (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide

(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 126610945) has the molecular formula C26H28N8O2S2 and a molecular weight of 548.70 g/mol. Its IUPAC name is (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID126610945
Molecular FormulaC26H28N8O2S2
Molecular Weight548.70 g/mol
Exact Mass548.18
IUPAC Name(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESC[C@@H](C(=O)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(NC(=O)[C@H](C)c4cccnc4)s3)C2)s1)c1cccnc1
InChIInChI=1S/C26H28N8O2S2/c1-15(19-5-3-9-27-13-19)22(35)29-25-33-31-21(37-25)12-17-7-8-18(11-17)24-32-34-26(38-24)30-23(36)16(2)20-6-4-10-28-14-20/h3-6,9-10,13-18H,7-8,11-12H2,1-2H3,(H,29,33,35)(H,30,34,36)/t15-,16-,17+,18-/m1/s1
InChIKeyBZQOGWQFPWSKMT-ZJPYXAASSA-N
XLogP4.79
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.70
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide with MolForge

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Related Compounds

(2S)-2-pyridin-3-yl-N-[5-[[(1R,3S)-3-[5-[[(2S)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]but-3-ynamide
CID 126621127
N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide
CID 123791625
N-[5-[[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 118492658
N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide
CID 126610953
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 144630713
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-pyridin-2-yl-N-[5-[[(1S,3R)-3-[5-(pyridin-2-ylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118492656
(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
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-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
CID 120998273
2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 146202136
bis((2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2R)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide);bis((2S)-2-methoxy-2-phenyl-N-[5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide)
CID 163551655

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 126610945) is (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide is C[C@@H](C(=O)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(NC(=O)[C@H](C)c4cccnc4)s3)C2)s1)c1cccnc1.
What is the InChIKey of (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is BZQOGWQFPWSKMT-ZJPYXAASSA-N. The full InChI is InChI=1S/C26H28N8O2S2/c1-15(19-5-3-9-27-13-19)22(35)29-25-33-31-21(37-25)12-17-7-8-18(11-17)24-32-34-26(38-24)30-23(36)16(2)20-6-4-10-28-14-20/h3-6,9-10,13-18H,7-8,11-12H2,1-2H3,(H,29,33,35)(H,30,34,36)/t15-,16-,17+,18-/m1/s1.
What are the key properties of (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide?
(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 548.70 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 126610945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).