3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole

C15H15N3OS2 — CID 19612613

IUPAC3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESCc1ccc(CCCOc2nsnc2-c2cccnc2)s1
InChIInChI=1S/C15H15N3OS2/c1-11-6-7-13(20-11)5-3-9-19-15-14(17-21-18-15)12-4-2-8-16-10-12/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyLKXDRTPHCOGKRP-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.98
Rot. Bonds6

About 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole

3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole (PubChem CID 19612613) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
PubChem CID19612613
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESCc1ccc(CCCOc2nsnc2-c2cccnc2)s1
InChIInChI=1S/C15H15N3OS2/c1-11-6-7-13(20-11)5-3-9-19-15-14(17-21-18-15)12-4-2-8-16-10-12/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyLKXDRTPHCOGKRP-UHFFFAOYSA-N
XLogP3.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-yl-4-[2-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 10928093
3-[(E)-hex-4-enoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075354
3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 174364537
3-(2-ethylsulfinylethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 158191583
N-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]acetamide
CID 139979245
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075239
1-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethyl]pyrrolidin-2-one
CID 174401992
3-but-1-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
CID 139697051
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
3-pyridin-3-yl-4-(6,6,6-trifluorohexan-3-yloxy)-1,2,5-thiadiazole
CID 57128366

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole?
The IUPAC name of 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole (CID 19612613) is 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole is Cc1ccc(CCCOc2nsnc2-c2cccnc2)s1.
What is the InChIKey of 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole?
The InChIKey is LKXDRTPHCOGKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-11-6-7-13(20-11)5-3-9-19-15-14(17-21-18-15)12-4-2-8-16-10-12/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole?
3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole has a molecular weight of 317.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylthiophen-2-yl)propoxy]-4-pyridin-3-yl-1,2,5-thiadiazole is sourced from PubChem (CID 19612613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).