(4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C24H24Br2N4O2S — CID 66924606

About (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

(4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 66924606) has the molecular formula C24H24Br2N4O2S and a molecular weight of 592.36 g/mol. Its IUPAC name is (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
• PubChem CID: 66924606
• Molecular Formula: C24H24Br2N4O2S
• Molecular Weight: 592.36 g/mol
• Exact Mass: 590.00
• IUPAC Name: (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
• SMILES: O=C(Nc1ccc(C[C@@H]2CC[C@H](C(O)c3cccnc3)N2)cc1Br)[C@H]1CCc2sc(Br)nc21
• InChI: InChI=1S/C24H24Br2N4O2S/c25-17-11-13(10-15-4-7-19(28-15)22(31)14-2-1-9-27-12-14)3-6-18(17)29-23(32)16-5-8-20-21(16)30-24(26)33-20/h1-3,6,9,11-12,15-16,19,22,28,31H,4-5,7-8,10H2,(H,29,32)/t15-,16-,19+,22?/m0/s1
• InChIKey: ONECFAREVVSNOK-GCFDERSISA-N
• XLogP: 5.13
• TPSA: 87.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.36
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?

The IUPAC name of (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 66924606) is (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

What is the SMILES notation for (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?

The canonical SMILES for (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is O=C(Nc1ccc(C[C@@H]2CC[C@H](C(O)c3cccnc3)N2)cc1Br)[C@H]1CCc2sc(Br)nc21.

What is the InChIKey of (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?

The InChIKey is ONECFAREVVSNOK-GCFDERSISA-N. The full InChI is InChI=1S/C24H24Br2N4O2S/c25-17-11-13(10-15-4-7-19(28-15)22(31)14-2-1-9-27-12-14)3-6-18(17)29-23(32)16-5-8-20-21(16)30-24(26)33-20/h1-3,6,9,11-12,15-16,19,22,28,31H,4-5,7-8,10H2,(H,29,32)/t15-,16-,19+,22?/m0/s1.

What are the key properties of (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?

(4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 592.36 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 66924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).