5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole

C12H19NS — CID 143345882

IUPAC5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole
SMILESC=CC1=C(/C=C(\C)CCC)CN(C)S1
InChIInChI=1S/C12H19NS/c1-5-7-10(3)8-11-9-13(4)14-12(11)6-2/h6,8H,2,5,7,9H2,1,3-4H3/b10-8+
InChIKeyUNKGHPQPPWHGNF-CSKARUKUSA-N
MW209.36 g/mol
LogP3.77
Rot. Bonds4

About 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole

5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole (PubChem CID 143345882) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole
PubChem CID143345882
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole
SMILESC=CC1=C(/C=C(\C)CCC)CN(C)S1
InChIInChI=1S/C12H19NS/c1-5-7-10(3)8-11-9-13(4)14-12(11)6-2/h6,8H,2,5,7,9H2,1,3-4H3/b10-8+
InChIKeyUNKGHPQPPWHGNF-CSKARUKUSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole?
The IUPAC name of 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole (CID 143345882) is 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole?
The canonical SMILES for 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole is C=CC1=C(/C=C(\C)CCC)CN(C)S1.
What is the InChIKey of 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole?
The InChIKey is UNKGHPQPPWHGNF-CSKARUKUSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-7-10(3)8-11-9-13(4)14-12(11)6-2/h6,8H,2,5,7,9H2,1,3-4H3/b10-8+.
What are the key properties of 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole?
5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole has a molecular weight of 209.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4-[(E)-2-methylpent-1-enyl]-3H-1,2-thiazole is sourced from PubChem (CID 143345882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).