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

C7H11NS — CID 57319410

IUPAC4-methyl-3-prop-2-enyl-2H-1,3-thiazole
SMILESC=CCN1CSC=C1C
InChIInChI=1S/C7H11NS/c1-3-4-8-6-9-5-7(8)2/h3,5H,1,4,6H2,2H3
InChIKeyDLZGGTNJEXHLLW-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds2

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

4-methyl-3-prop-2-enyl-2H-1,3-thiazole (PubChem CID 57319410) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-methyl-3-prop-2-enyl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-3-prop-2-enyl-2H-1,3-thiazole
PubChem CID57319410
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-methyl-3-prop-2-enyl-2H-1,3-thiazole
SMILESC=CCN1CSC=C1C
InChIInChI=1S/C7H11NS/c1-3-4-8-6-9-5-7(8)2/h3,5H,1,4,6H2,2H3
InChIKeyDLZGGTNJEXHLLW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
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 4-methyl-3-prop-2-enyl-2H-1,3-thiazole?
The IUPAC name of 4-methyl-3-prop-2-enyl-2H-1,3-thiazole (CID 57319410) is 4-methyl-3-prop-2-enyl-2H-1,3-thiazole.
What is the SMILES notation for 4-methyl-3-prop-2-enyl-2H-1,3-thiazole?
The canonical SMILES for 4-methyl-3-prop-2-enyl-2H-1,3-thiazole is C=CCN1CSC=C1C.
What is the InChIKey of 4-methyl-3-prop-2-enyl-2H-1,3-thiazole?
The InChIKey is DLZGGTNJEXHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-8-6-9-5-7(8)2/h3,5H,1,4,6H2,2H3.
What are the key properties of 4-methyl-3-prop-2-enyl-2H-1,3-thiazole?
4-methyl-3-prop-2-enyl-2H-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-2-enyl-2H-1,3-thiazole is sourced from PubChem (CID 57319410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).