4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one

C12H11NO2S — CID 81137022

IUPAC4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one
SMILESCC1(C)Oc2ccccc2-c2[nH]c(=O)sc21
InChIInChI=1S/C12H11NO2S/c1-12(2)10-9(13-11(14)16-10)7-5-3-4-6-8(7)15-12/h3-6H,1-2H3,(H,13,14)
InChIKeyYOUFDTHGZVNSLU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.73
Rot. Bonds

About 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one

4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one (PubChem CID 81137022) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one
PubChem CID81137022
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one
SMILESCC1(C)Oc2ccccc2-c2[nH]c(=O)sc21
InChIInChI=1S/C12H11NO2S/c1-12(2)10-9(13-11(14)16-10)7-5-3-4-6-8(7)15-12/h3-6H,1-2H3,(H,13,14)
InChIKeyYOUFDTHGZVNSLU-UHFFFAOYSA-N
XLogP2.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one?
The IUPAC name of 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one (CID 81137022) is 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one.
What is the SMILES notation for 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one?
The canonical SMILES for 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one is CC1(C)Oc2ccccc2-c2[nH]c(=O)sc21.
What is the InChIKey of 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one?
The InChIKey is YOUFDTHGZVNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-12(2)10-9(13-11(14)16-10)7-5-3-4-6-8(7)15-12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one?
4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one has a molecular weight of 233.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1H-chromeno[4,3-d][1,3]thiazol-2-one is sourced from PubChem (CID 81137022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).