5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane

C16H29NS — CID 170620892

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
SMILESC=C/C=C\c1scnc1C=C.CC.CC.CCC
InChIInChI=1S/C9H9NS.C3H8.2C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-3-2;2*1-2/h3-7H,1-2H2;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyBLLYQIJZQWJBIS-WTUPQPTJSA-N
MW267.48 g/mol
LogP6.45
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane (PubChem CID 170620892) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
PubChem CID170620892
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
SMILESC=C/C=C\c1scnc1C=C.CC.CC.CCC
InChIInChI=1S/C9H9NS.C3H8.2C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-3-2;2*1-2/h3-7H,1-2H2;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyBLLYQIJZQWJBIS-WTUPQPTJSA-N
XLogP6.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane with MolForge

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Related Compounds

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CID 15654
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CID 68152330
4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
CID 163757497
2-Methylcycloocta[d][1,3]thiazole
CID 129792379
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5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole
CID 162608361
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole
CID 168979368
5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole
CID 178086149
4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 21037569
4H-[1,3]thiazolo[4,5-c]azepine
CID 57432535
4H-[1,3]thiazolo[5,4-c]azepine
CID 57432537

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane (CID 170620892) is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane is C=C/C=C\c1scnc1C=C.CC.CC.CCC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane?
The InChIKey is BLLYQIJZQWJBIS-WTUPQPTJSA-N. The full InChI is InChI=1S/C9H9NS.C3H8.2C2H6/c1-3-5-6-9-8(4-2)10-7-11-9;1-3-2;2*1-2/h3-7H,1-2H2;3H2,1-2H3;2*1-2H3/b6-5-;;;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane?
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane has a molecular weight of 267.48 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane is sourced from PubChem (CID 170620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).