7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine

C32H33F3N2S2 — CID 163447469

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine
SMILESCC(C)c1c(-c2cnc(CC(C)(C)C(F)(F)F)s2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H33F3N2S2/c1-18(2)26-22-12-13-36-27(20-14-19-10-8-9-11-21(19)23(15-20)30(3,4)5)28(22)39-29(26)24-17-37-25(38-24)16-31(6,7)32(33,34)35/h8-15,17-18H,16H2,1-7H3
InChIKeyFZLAHXWCZJNIMP-UHFFFAOYSA-N
MW566.76 g/mol
LogP10.79
Rot. Bonds5

About 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine (PubChem CID 163447469) has the molecular formula C32H33F3N2S2 and a molecular weight of 566.76 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine
PubChem CID163447469
Molecular FormulaC32H33F3N2S2
Molecular Weight566.76 g/mol
Exact Mass566.20
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine
SMILESCC(C)c1c(-c2cnc(CC(C)(C)C(F)(F)F)s2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H33F3N2S2/c1-18(2)26-22-12-13-36-27(20-14-19-10-8-9-11-21(19)23(15-20)30(3,4)5)28(22)39-29(26)24-17-37-25(38-24)16-31(6,7)32(33,34)35/h8-15,17-18H,16H2,1-7H3
InChIKeyFZLAHXWCZJNIMP-UHFFFAOYSA-N
XLogP10.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.76
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine with MolForge

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-ylthieno[2,3-c]pyridine
CID 163485977
1-[4-(3-methylpentan-3-yl)naphthalen-2-yl]-8-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 154599448
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
1-(4-tert-butylnaphthalen-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 154599505
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
7-(4-tert-butylnaphthalen-2-yl)-5-deuterio-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine
CID 164932068
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
1-(4-tert-butylnaphthalen-2-yl)-7-[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 172542880

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine (CID 163447469) is 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine is CC(C)c1c(-c2cnc(CC(C)(C)C(F)(F)F)s2)sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine?
The InChIKey is FZLAHXWCZJNIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N2S2/c1-18(2)26-22-12-13-36-27(20-14-19-10-8-9-11-21(19)23(15-20)30(3,4)5)28(22)39-29(26)24-17-37-25(38-24)16-31(6,7)32(33,34)35/h8-15,17-18H,16H2,1-7H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine has a molecular weight of 566.76 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-propan-2-yl-2-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-5-yl]thieno[2,3-c]pyridine is sourced from PubChem (CID 163447469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).