4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine

C28H14F6N2S3 — CID 91572529

IUPAC4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4sncc34)s2)cc1
InChIInChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)21-9-11-23(37-21)19-13-35-25(20-14-36-39-26(19)20)24-12-10-22(38-24)16-3-7-18(8-4-16)28(32,33)34/h1-14H
InChIKeyOTPQTDVBXYDNLA-UHFFFAOYSA-N
MW588.62 g/mol
LogP10.52
Rot. Bonds4

About 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine

4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine (PubChem CID 91572529) has the molecular formula C28H14F6N2S3 and a molecular weight of 588.62 g/mol. Its IUPAC name is 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine
PubChem CID91572529
Molecular FormulaC28H14F6N2S3
Molecular Weight588.62 g/mol
Exact Mass588.02
IUPAC Name4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4sncc34)s2)cc1
InChIInChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)21-9-11-23(37-21)19-13-35-25(20-14-36-39-26(19)20)24-12-10-22(38-24)16-3-7-18(8-4-16)28(32,33)34/h1-14H
InChIKeyOTPQTDVBXYDNLA-UHFFFAOYSA-N
XLogP10.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.62
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine?
The IUPAC name of 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine (CID 91572529) is 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine is FC(F)(F)c1ccc(-c2ccc(-c3ncc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4sncc34)s2)cc1.
What is the InChIKey of 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine?
The InChIKey is OTPQTDVBXYDNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14F6N2S3/c29-27(30,31)17-5-1-15(2-6-17)21-9-11-23(37-21)19-13-35-25(20-14-36-39-26(19)20)24-12-10-22(38-24)16-3-7-18(8-4-16)28(32,33)34/h1-14H.
What are the key properties of 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine?
4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine has a molecular weight of 588.62 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,2]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 91572529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).