5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine

C27H33NS2 — CID 170184963

IUPAC5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1ccc2sc(C(C)(C)CC(C)c3cnc4sc(C(C)C)cc4c3)cc2c1
InChIInChI=1S/C27H33NS2/c1-16(2)19-8-9-23-20(10-19)13-25(29-23)27(6,7)14-18(5)22-11-21-12-24(17(3)4)30-26(21)28-15-22/h8-13,15-18H,14H2,1-7H3
InChIKeyFDWROQGLNNITRL-UHFFFAOYSA-N
MW435.70 g/mol
LogP9.23
Rot. Bonds6

About 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine

5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 170184963) has the molecular formula C27H33NS2 and a molecular weight of 435.70 g/mol. Its IUPAC name is 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID170184963
Molecular FormulaC27H33NS2
Molecular Weight435.70 g/mol
Exact Mass435.21
IUPAC Name5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1ccc2sc(C(C)(C)CC(C)c3cnc4sc(C(C)C)cc4c3)cc2c1
InChIInChI=1S/C27H33NS2/c1-16(2)19-8-9-23-20(10-19)13-25(29-23)27(6,7)14-18(5)22-11-21-12-24(17(3)4)30-26(21)28-15-22/h8-13,15-18H,14H2,1-7H3
InChIKeyFDWROQGLNNITRL-UHFFFAOYSA-N
XLogP9.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine (CID 170184963) is 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1ccc2sc(C(C)(C)CC(C)c3cnc4sc(C(C)C)cc4c3)cc2c1.
What is the InChIKey of 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is FDWROQGLNNITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NS2/c1-16(2)19-8-9-23-20(10-19)13-25(29-23)27(6,7)14-18(5)22-11-21-12-24(17(3)4)30-26(21)28-15-22/h8-13,15-18H,14H2,1-7H3.
What are the key properties of 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine?
5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 435.70 g/mol, XLogP of 9.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 170184963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).