4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde

C6H9NO2S — CID 54283006

IUPAC4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde
SMILESC=O.Cc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS.CH2O/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1H2
InChIKeyRSCDHPRHFKBATR-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.87
Rot. Bonds

About 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde

4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde (PubChem CID 54283006) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde.

Molecular Properties

Compound Name4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde
PubChem CID54283006
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde
SMILESC=O.Cc1[nH]c(=O)sc1C
InChIInChI=1S/C5H7NOS.CH2O/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1H2
InChIKeyRSCDHPRHFKBATR-UHFFFAOYSA-N
XLogP0.87
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde?
The IUPAC name of 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde (CID 54283006) is 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde.
What is the SMILES notation for 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde?
The canonical SMILES for 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde is C=O.Cc1[nH]c(=O)sc1C.
What is the InChIKey of 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde?
The InChIKey is RSCDHPRHFKBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.CH2O/c1-3-4(2)8-5(7)6-3;1-2/h1-2H3,(H,6,7);1H2.
What are the key properties of 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde?
4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde has a molecular weight of 159.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3H-1,3-thiazol-2-one;formaldehyde is sourced from PubChem (CID 54283006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).