7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine

C18H14N4O2S2 — CID 123823765

IUPAC7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
SMILESc1cncc(-c2nnc(-c3cc4ccsc4c(C4OCCCO4)n3)s2)c1
InChIInChI=1S/C18H14N4O2S2/c1-3-12(10-19-5-1)16-21-22-17(26-16)13-9-11-4-8-25-15(11)14(20-13)18-23-6-2-7-24-18/h1,3-5,8-10,18H,2,6-7H2
InChIKeyXXJPLDCVCBDGDN-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.31
Rot. Bonds3

About 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine

7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine (PubChem CID 123823765) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
PubChem CID123823765
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
SMILESc1cncc(-c2nnc(-c3cc4ccsc4c(C4OCCCO4)n3)s2)c1
InChIInChI=1S/C18H14N4O2S2/c1-3-12(10-19-5-1)16-21-22-17(26-16)13-9-11-4-8-25-15(11)14(20-13)18-23-6-2-7-24-18/h1,3-5,8-10,18H,2,6-7H2
InChIKeyXXJPLDCVCBDGDN-UHFFFAOYSA-N
XLogP4.31
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine with MolForge

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Related Compounds

4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 84715807
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 123918244
4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123528594
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
2-pyridin-3-yl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3,4-thiadiazole
CID 47061206
12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide
CID 75202820
2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975759
5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-(1,3-dioxolan-2-yl)pyridine
CID 59538396
4-(3,4-dihydroxyoxan-2-yl)-3-pyridin-3-yl-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 66655218
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine (CID 123823765) is 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine is c1cncc(-c2nnc(-c3cc4ccsc4c(C4OCCCO4)n3)s2)c1.
What is the InChIKey of 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine?
The InChIKey is XXJPLDCVCBDGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-3-12(10-19-5-1)16-21-22-17(26-16)13-9-11-4-8-25-15(11)14(20-13)18-23-6-2-7-24-18/h1,3-5,8-10,18H,2,6-7H2.
What are the key properties of 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine?
7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine has a molecular weight of 382.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 123823765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).