ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole

C18H33NS — CID 143703333

IUPACethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC.CC/C=C(/C)CC=CCC1=C(C)NC(C(C)C)S1
InChIInChI=1S/C16H27NS.C2H6/c1-6-9-13(4)10-7-8-11-15-14(5)17-16(18-15)12(2)3;1-2/h7-9,12,16-17H,6,10-11H2,1-5H3;1-2H3/b8-7?,13-9-;
InChIKeyHKPLKYUAQQLDLY-DDANCXNZSA-N
MW295.54 g/mol
LogP6.26
Rot. Bonds6

About ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole

ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 143703333) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID143703333
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Nameethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC.CC/C=C(/C)CC=CCC1=C(C)NC(C(C)C)S1
InChIInChI=1S/C16H27NS.C2H6/c1-6-9-13(4)10-7-8-11-15-14(5)17-16(18-15)12(2)3;1-2/h7-9,12,16-17H,6,10-11H2,1-5H3;1-2H3/b8-7?,13-9-;
InChIKeyHKPLKYUAQQLDLY-DDANCXNZSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 143703333) is ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole is CC.CC/C=C(/C)CC=CCC1=C(C)NC(C(C)C)S1.
What is the InChIKey of ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is HKPLKYUAQQLDLY-DDANCXNZSA-N. The full InChI is InChI=1S/C16H27NS.C2H6/c1-6-9-13(4)10-7-8-11-15-14(5)17-16(18-15)12(2)3;1-2/h7-9,12,16-17H,6,10-11H2,1-5H3;1-2H3/b8-7?,13-9-;.
What are the key properties of ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 295.54 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-[(5Z)-5-methylocta-2,5-dienyl]-2-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143703333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).