(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole

C33H27N3S3 — CID 102282244

IUPAC(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc([C@H]2CSC(c3cc(C4=N[C@@H](c5ccccc5)CS4)cc(C4=N[C@@H](c5ccccc5)CS4)c3)=N2)cc1
InChIInChI=1S/C33H27N3S3/c1-4-10-22(11-5-1)28-19-37-31(34-28)25-16-26(32-35-29(20-38-32)23-12-6-2-7-13-23)18-27(17-25)33-36-30(21-39-33)24-14-8-3-9-15-24/h1-18,28-30H,19-21H2/t28-,29-,30-/m1/s1
InChIKeyVHXJCOLOHGHECQ-IDZRBWSNSA-N
MW561.80 g/mol
LogP8.39
Rot. Bonds6

About (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole

(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 102282244) has the molecular formula C33H27N3S3 and a molecular weight of 561.80 g/mol. Its IUPAC name is (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID102282244
Molecular FormulaC33H27N3S3
Molecular Weight561.80 g/mol
Exact Mass561.14
IUPAC Name(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESc1ccc([C@H]2CSC(c3cc(C4=N[C@@H](c5ccccc5)CS4)cc(C4=N[C@@H](c5ccccc5)CS4)c3)=N2)cc1
InChIInChI=1S/C33H27N3S3/c1-4-10-22(11-5-1)28-19-37-31(34-28)25-16-26(32-35-29(20-38-32)23-12-6-2-7-13-23)18-27(17-25)33-36-30(21-39-33)24-14-8-3-9-15-24/h1-18,28-30H,19-21H2/t28-,29-,30-/m1/s1
InChIKeyVHXJCOLOHGHECQ-IDZRBWSNSA-N
XLogP8.39
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.80
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole (CID 102282244) is (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole is c1ccc([C@H]2CSC(c3cc(C4=N[C@@H](c5ccccc5)CS4)cc(C4=N[C@@H](c5ccccc5)CS4)c3)=N2)cc1.
What is the InChIKey of (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is VHXJCOLOHGHECQ-IDZRBWSNSA-N. The full InChI is InChI=1S/C33H27N3S3/c1-4-10-22(11-5-1)28-19-37-31(34-28)25-16-26(32-35-29(20-38-32)23-12-6-2-7-13-23)18-27(17-25)33-36-30(21-39-33)24-14-8-3-9-15-24/h1-18,28-30H,19-21H2/t28-,29-,30-/m1/s1.
What are the key properties of (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole?
(4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 561.80 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3,5-bis[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenyl]-4-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102282244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).