2-methylidene-3-propyl-1,3-thiazole

C7H11NS — CID 59168910

IUPAC2-methylidene-3-propyl-1,3-thiazole
SMILESC=C1SC=CN1CCC
InChIInChI=1S/C7H11NS/c1-3-4-8-5-6-9-7(8)2/h5-6H,2-4H2,1H3
InChIKeyHIVISIUZDJVSIQ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.39
Rot. Bonds2

About 2-methylidene-3-propyl-1,3-thiazole

2-methylidene-3-propyl-1,3-thiazole (PubChem CID 59168910) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methylidene-3-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-methylidene-3-propyl-1,3-thiazole
PubChem CID59168910
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methylidene-3-propyl-1,3-thiazole
SMILESC=C1SC=CN1CCC
InChIInChI=1S/C7H11NS/c1-3-4-8-5-6-9-7(8)2/h5-6H,2-4H2,1H3
InChIKeyHIVISIUZDJVSIQ-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propyl-1,3-thiazole?
The IUPAC name of 2-methylidene-3-propyl-1,3-thiazole (CID 59168910) is 2-methylidene-3-propyl-1,3-thiazole.
What is the SMILES notation for 2-methylidene-3-propyl-1,3-thiazole?
The canonical SMILES for 2-methylidene-3-propyl-1,3-thiazole is C=C1SC=CN1CCC.
What is the InChIKey of 2-methylidene-3-propyl-1,3-thiazole?
The InChIKey is HIVISIUZDJVSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-8-5-6-9-7(8)2/h5-6H,2-4H2,1H3.
What are the key properties of 2-methylidene-3-propyl-1,3-thiazole?
2-methylidene-3-propyl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propyl-1,3-thiazole is sourced from PubChem (CID 59168910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).