4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine

C16H12ClN3OS2 — CID 141024148

IUPAC4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine
SMILESCN1CSC(c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)=N1
InChIInChI=1S/C16H12ClN3OS2/c1-20-9-22-16(19-20)14-6-12-13(7-18-8-15(12)23-14)21-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3
InChIKeyKXUJOFNACXSLJS-UHFFFAOYSA-N
MW361.88 g/mol
LogP5.04
Rot. Bonds3

About 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine

4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 141024148) has the molecular formula C16H12ClN3OS2 and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine
PubChem CID141024148
Molecular FormulaC16H12ClN3OS2
Molecular Weight361.88 g/mol
Exact Mass361.01
IUPAC Name4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine
SMILESCN1CSC(c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)=N1
InChIInChI=1S/C16H12ClN3OS2/c1-20-9-22-16(19-20)14-6-12-13(7-18-8-15(12)23-14)21-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3
InChIKeyKXUJOFNACXSLJS-UHFFFAOYSA-N
XLogP5.04
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.88
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine (CID 141024148) is 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine is CN1CSC(c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)=N1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is KXUJOFNACXSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS2/c1-20-9-22-16(19-20)14-6-12-13(7-18-8-15(12)23-14)21-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine?
4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 361.88 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-(3-methyl-2H-1,3,4-thiadiazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 141024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).