methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine

C27H30N4S2 — CID 158195123

IUPACmethane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
SMILESC.C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CSCN5)C4)cc3)cc2)CC([C@@H]2CSCN2)=N1
InChIInChI=1S/C26H26N4S2.CH4/c1-5-19(21-9-23(27-11-21)25-13-31-15-29-25)6-2-17(1)18-3-7-20(8-4-18)22-10-24(28-12-22)26-14-32-16-30-26;/h1-8,11-12,25-26,29-30H,9-10,13-16H2;1H4/t25-,26-;/m0./s1
InChIKeyGAGAXPSRRNRXCV-CCQIZPNASA-N
MW474.70 g/mol
LogP5.69
Rot. Bonds5

About methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine

methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine (PubChem CID 158195123) has the molecular formula C27H30N4S2 and a molecular weight of 474.70 g/mol. Its IUPAC name is methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine.

Molecular Properties

Compound Namemethane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
PubChem CID158195123
Molecular FormulaC27H30N4S2
Molecular Weight474.70 g/mol
Exact Mass474.19
IUPAC Namemethane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
SMILESC.C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CSCN5)C4)cc3)cc2)CC([C@@H]2CSCN2)=N1
InChIInChI=1S/C26H26N4S2.CH4/c1-5-19(21-9-23(27-11-21)25-13-31-15-29-25)6-2-17(1)18-3-7-20(8-4-18)22-10-24(28-12-22)26-14-32-16-30-26;/h1-8,11-12,25-26,29-30H,9-10,13-16H2;1H4/t25-,26-;/m0./s1
InChIKeyGAGAXPSRRNRXCV-CCQIZPNASA-N
XLogP5.69
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?
The IUPAC name of methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine (CID 158195123) is methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine.
What is the SMILES notation for methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?
The canonical SMILES for methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine is C.C1=C(c2ccc(-c3ccc(C4=CN=C([C@@H]5CSCN5)C4)cc3)cc2)CC([C@@H]2CSCN2)=N1.
What is the InChIKey of methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?
The InChIKey is GAGAXPSRRNRXCV-CCQIZPNASA-N. The full InChI is InChI=1S/C26H26N4S2.CH4/c1-5-19(21-9-23(27-11-21)25-13-31-15-29-25)6-2-17(1)18-3-7-20(8-4-18)22-10-24(28-12-22)26-14-32-16-30-26;/h1-8,11-12,25-26,29-30H,9-10,13-16H2;1H4/t25-,26-;/m0./s1.
What are the key properties of methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine?
methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine has a molecular weight of 474.70 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine is sourced from PubChem (CID 158195123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).