1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione

C14H14N2S — CID 143721282

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione
SMILESC=C/C=C\C(=C/C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C14H14N2S/c1-3-5-8-11(4-2)13-12-9-6-7-10-16(12)14(17)15-13/h3-10H,1H2,2H3,(H,15,17)/b8-5-,11-4+
InChIKeySKRPQWDBNRWXSS-CDXXIHCBSA-N
MW242.35 g/mol
LogP4.14
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione

1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione (PubChem CID 143721282) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione
PubChem CID143721282
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione
SMILESC=C/C=C\C(=C/C)c1[nH]c(=S)n2ccccc12
InChIInChI=1S/C14H14N2S/c1-3-5-8-11(4-2)13-12-9-6-7-10-16(12)14(17)15-13/h3-10H,1H2,2H3,(H,15,17)/b8-5-,11-4+
InChIKeySKRPQWDBNRWXSS-CDXXIHCBSA-N
XLogP4.14
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1,3-dihydrocyclopenta[d]pyrimidine-2-thione
CID 23372548
1-methyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966796
1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966797
1-propan-2-yl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966798
1-tert-butyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24967145
1-prop-2-enyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24967146
1-butyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24967147
iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine
CID 59582836
4-(4-Methylcyclohexa-1,5-dien-1-yl)-1,3-dihydroimidazole-2-thione
CID 89219002
4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione
CID 89317928
8-Methyl-2,3-dihydroimidazo[1,5-a]pyridine
CID 117705202
5-buta-1,3-dien-2-yl-3-methyl-1H-imidazole-2-thione
CID 123854299

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione (CID 143721282) is 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione is C=C/C=C\C(=C/C)c1[nH]c(=S)n2ccccc12.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione?
The InChIKey is SKRPQWDBNRWXSS-CDXXIHCBSA-N. The full InChI is InChI=1S/C14H14N2S/c1-3-5-8-11(4-2)13-12-9-6-7-10-16(12)14(17)15-13/h3-10H,1H2,2H3,(H,15,17)/b8-5-,11-4+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione?
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione has a molecular weight of 242.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione is sourced from PubChem (CID 143721282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).