4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one

C7H9NOS — CID 143897699

IUPAC4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one
SMILESC/C=C\c1sc(=O)[nH]c1C
InChIInChI=1S/C7H9NOS/c1-3-4-6-5(2)8-7(9)10-6/h3-4H,1-2H3,(H,8,9)/b4-3-
InChIKeyWXQZUMQBHBFIHH-ARJAWSKDSA-N
MW155.22 g/mol
LogP1.78
Rot. Bonds1

About 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one

4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one (PubChem CID 143897699) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one
PubChem CID143897699
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one
SMILESC/C=C\c1sc(=O)[nH]c1C
InChIInChI=1S/C7H9NOS/c1-3-4-6-5(2)8-7(9)10-6/h3-4H,1-2H3,(H,8,9)/b4-3-
InChIKeyWXQZUMQBHBFIHH-ARJAWSKDSA-N
XLogP1.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one (CID 143897699) is 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one is C/C=C\c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one?
The InChIKey is WXQZUMQBHBFIHH-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-4-6-5(2)8-7(9)10-6/h3-4H,1-2H3,(H,8,9)/b4-3-.
What are the key properties of 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one?
4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-prop-1-enyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 143897699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).