6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile

C34H33N3S — CID 164796395

IUPAC6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESCC(C)(C)Cc1ccc(-c2ncc(-c3cc(-c4cc(C(C)(C)C)c5ccccc5c4)ncc3C#N)s2)cc1
InChIInChI=1S/C34H33N3S/c1-33(2,3)18-22-11-13-23(14-12-22)32-37-21-31(38-32)28-17-30(36-20-26(28)19-35)25-15-24-9-7-8-10-27(24)29(16-25)34(4,5)6/h7-17,20-21H,18H2,1-6H3
InChIKeyJVBCHROGJCJNCY-UHFFFAOYSA-N
MW515.73 g/mol
LogP9.45
Rot. Bonds4

About 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile

6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 164796395) has the molecular formula C34H33N3S and a molecular weight of 515.73 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
PubChem CID164796395
Molecular FormulaC34H33N3S
Molecular Weight515.73 g/mol
Exact Mass515.24
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESCC(C)(C)Cc1ccc(-c2ncc(-c3cc(-c4cc(C(C)(C)C)c5ccccc5c4)ncc3C#N)s2)cc1
InChIInChI=1S/C34H33N3S/c1-33(2,3)18-22-11-13-23(14-12-22)32-37-21-31(38-32)28-17-30(36-20-26(28)19-35)25-15-24-9-7-8-10-27(24)29(16-25)34(4,5)6/h7-17,20-21H,18H2,1-6H3
InChIKeyJVBCHROGJCJNCY-UHFFFAOYSA-N
XLogP9.45
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.73
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine
CID 156665477
6-(3,5-dimethylphenyl)-4-[4-(2,2-dimethylpropyl)phenyl]pyridine-3-carbonitrile
CID 164796417
2-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-1,3-benzothiazole
CID 156665521
4-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[5,4-c]pyridine
CID 164733300
2-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-5-(2-methylpropyl)thieno[2,3-b]pyridine
CID 171742112
7-(2,2-dimethylpropyl)-1-(4-fluoronaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridine-4-carbonitrile
CID 177073375
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
CID 23244777
4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine
CID 172528345
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-[4-[4-(2,2-dimethylpropyl)phenyl]-2-fluorophenyl]pyridine-3-carbonitrile;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 164796386
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2,2-dimethylpropyl)-1,1-dimethyl-1-benzogermol-2-yl]pyridine
CID 176748893

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (CID 164796395) is 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is CC(C)(C)Cc1ccc(-c2ncc(-c3cc(-c4cc(C(C)(C)C)c5ccccc5c4)ncc3C#N)s2)cc1.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is JVBCHROGJCJNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3S/c1-33(2,3)18-22-11-13-23(14-12-22)32-37-21-31(38-32)28-17-30(36-20-26(28)19-35)25-15-24-9-7-8-10-27(24)29(16-25)34(4,5)6/h7-17,20-21H,18H2,1-6H3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 515.73 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-4-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 164796395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).