4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole

C7H9NS — CID 21037569

IUPAC4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C/c1scnc1C
InChIInChI=1S/C7H9NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H3/b4-3+
InChIKeyWQGGHIUUQLCXFO-ONEGZZNKSA-N
MW139.22 g/mol
LogP2.48
Rot. Bonds1

About 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole

4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole (PubChem CID 21037569) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
PubChem CID21037569
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C/c1scnc1C
InChIInChI=1S/C7H9NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H3/b4-3+
InChIKeyWQGGHIUUQLCXFO-ONEGZZNKSA-N
XLogP2.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole (CID 21037569) is 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole is C/C=C/c1scnc1C.
What is the InChIKey of 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?
The InChIKey is WQGGHIUUQLCXFO-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H3/b4-3+.
What are the key properties of 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole?
4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 21037569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).