1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole

C7H13NS — CID 67154371

IUPAC1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole
SMILESC=CCC1CN=S(C)C1
InChIInChI=1S/C7H13NS/c1-3-4-7-5-8-9(2)6-7/h3,7H,1,4-6H2,2H3
InChIKeyWDISWWZPKIJILV-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds2

About 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole

1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole (PubChem CID 67154371) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole.

Molecular Properties

Compound Name1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole
PubChem CID67154371
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole
SMILESC=CCC1CN=S(C)C1
InChIInChI=1S/C7H13NS/c1-3-4-7-5-8-9(2)6-7/h3,7H,1,4-6H2,2H3
InChIKeyWDISWWZPKIJILV-UHFFFAOYSA-N
XLogP1.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole?
The IUPAC name of 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole (CID 67154371) is 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole.
What is the SMILES notation for 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole?
The canonical SMILES for 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole is C=CCC1CN=S(C)C1.
What is the InChIKey of 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole?
The InChIKey is WDISWWZPKIJILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-4-7-5-8-9(2)6-7/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole?
1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole has a molecular weight of 143.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enyl-4,5-dihydro-3H-1,2-thiazole is sourced from PubChem (CID 67154371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).