4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

C25H24Cl2N4O2S — CID 71458425

IUPAC4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCCCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C25H24Cl2N4O2S/c1-2-3-19-23(24(33)30-13-12-28-20(32)14-30)34-25-29-21(15-4-8-17(26)9-5-15)22(31(19)25)16-6-10-18(27)11-7-16/h4-11,21-22H,2-3,12-14H2,1H3,(H,28,32)/t21-,22+/m0/s1
InChIKeySOGIBWNBMKLYDX-FCHUYYIVSA-N
MW515.47 g/mol
LogP5.16
Rot. Bonds5

About 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (PubChem CID 71458425) has the molecular formula C25H24Cl2N4O2S and a molecular weight of 515.47 g/mol. Its IUPAC name is 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
PubChem CID71458425
Molecular FormulaC25H24Cl2N4O2S
Molecular Weight515.47 g/mol
Exact Mass514.10
IUPAC Name4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCCCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C25H24Cl2N4O2S/c1-2-3-19-23(24(33)30-13-12-28-20(32)14-30)34-25-29-21(15-4-8-17(26)9-5-15)22(31(19)25)16-6-10-18(27)11-7-16/h4-11,21-22H,2-3,12-14H2,1H3,(H,28,32)/t21-,22+/m0/s1
InChIKeySOGIBWNBMKLYDX-FCHUYYIVSA-N
XLogP5.16
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (CID 71458425) is 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is CCCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The InChIKey is SOGIBWNBMKLYDX-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2S/c1-2-3-19-23(24(33)30-13-12-28-20(32)14-30)34-25-29-21(15-4-8-17(26)9-5-15)22(31(19)25)16-6-10-18(27)11-7-16/h4-11,21-22H,2-3,12-14H2,1H3,(H,28,32)/t21-,22+/m0/s1.
What are the key properties of 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one has a molecular weight of 515.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 71458425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).