(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole

C34H46N2S2 — CID 15319782

IUPAC(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole
SMILESCC1=C(C)N(c2c(C(C)C)cccc2C(C)C)/C(=C2\SC(C)=C(C)N2c2c(C(C)C)cccc2C(C)C)S1
InChIInChI=1S/C34H46N2S2/c1-19(2)27-15-13-16-28(20(3)4)31(27)35-23(9)25(11)37-33(35)34-36(24(10)26(12)38-34)32-29(21(5)6)17-14-18-30(32)22(7)8/h13-22H,1-12H3/b34-33+
InChIKeyIPQDDRQGRIFXIL-JEIPZWNWSA-N
MW546.89 g/mol
LogP11.62
Rot. Bonds6

About (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole

(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole (PubChem CID 15319782) has the molecular formula C34H46N2S2 and a molecular weight of 546.89 g/mol. Its IUPAC name is (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole
PubChem CID15319782
Molecular FormulaC34H46N2S2
Molecular Weight546.89 g/mol
Exact Mass546.31
IUPAC Name(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole
SMILESCC1=C(C)N(c2c(C(C)C)cccc2C(C)C)/C(=C2\SC(C)=C(C)N2c2c(C(C)C)cccc2C(C)C)S1
InChIInChI=1S/C34H46N2S2/c1-19(2)27-15-13-16-28(20(3)4)31(27)35-23(9)25(11)37-33(35)34-36(24(10)26(12)38-34)32-29(21(5)6)17-14-18-30(32)22(7)8/h13-22H,1-12H3/b34-33+
InChIKeyIPQDDRQGRIFXIL-JEIPZWNWSA-N
XLogP11.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.89
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
CID 177472224
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
7-[2,6-di(propan-2-yl)phenyl]-2-[7-[2,6-di(propan-2-yl)phenyl]-6,8-dioxo-[1,3]benzodithiolo[6,5-f]isoindol-2-ylidene]-[1,3]benzodithiolo[6,5-f]isoindole-6,8-dione
CID 132511783
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
2,3,9,10-tetrabromo-6,13-bis[2,6-di(propan-2-yl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 23652064
2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
(1R,2S,6S,7R)-4-(2-methyl-6-propan-2-ylphenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 100724781
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
CID 134965969

Frequently Asked Questions

What is the IUPAC name of (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole (CID 15319782) is (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole is CC1=C(C)N(c2c(C(C)C)cccc2C(C)C)/C(=C2\SC(C)=C(C)N2c2c(C(C)C)cccc2C(C)C)S1.
What is the InChIKey of (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole?
The InChIKey is IPQDDRQGRIFXIL-JEIPZWNWSA-N. The full InChI is InChI=1S/C34H46N2S2/c1-19(2)27-15-13-16-28(20(3)4)31(27)35-23(9)25(11)37-33(35)34-36(24(10)26(12)38-34)32-29(21(5)6)17-14-18-30(32)22(7)8/h13-22H,1-12H3/b34-33+.
What are the key properties of (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole?
(2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole has a molecular weight of 546.89 g/mol, XLogP of 11.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[2,6-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 15319782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).