(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole

C23H35NS — CID 135036063

IUPAC(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@H](C)CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
InChIInChI=1S/C23H35NS/c1-5-11-18(2)14-15-19(3)12-9-7-6-8-10-13-21-17-25-23(24-21)22-16-20(22)4/h5,7,9-10,12-13,18,20-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,19-12+/t18-,20-,21+,22+/m0/s1
InChIKeyNSNYWKGSGACJSW-AJAZDLIQSA-N
MW357.61 g/mol
LogP6.99
Rot. Bonds11

About (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole

(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole (PubChem CID 135036063) has the molecular formula C23H35NS and a molecular weight of 357.61 g/mol. Its IUPAC name is (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
PubChem CID135036063
Molecular FormulaC23H35NS
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Name(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@H](C)CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
InChIInChI=1S/C23H35NS/c1-5-11-18(2)14-15-19(3)12-9-7-6-8-10-13-21-17-25-23(24-21)22-16-20(22)4/h5,7,9-10,12-13,18,20-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,19-12+/t18-,20-,21+,22+/m0/s1
InChIKeyNSNYWKGSGACJSW-AJAZDLIQSA-N
XLogP6.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole (CID 135036063) is (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole is C=CC[C@H](C)CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1.
What is the InChIKey of (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is NSNYWKGSGACJSW-AJAZDLIQSA-N. The full InChI is InChI=1S/C23H35NS/c1-5-11-18(2)14-15-19(3)12-9-7-6-8-10-13-21-17-25-23(24-21)22-16-20(22)4/h5,7,9-10,12-13,18,20-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,19-12+/t18-,20-,21+,22+/m0/s1.
What are the key properties of (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole?
(4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 357.61 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1Z,5E,7E,11R)-8,11-dimethyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 135036063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).