4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one

C11H11NO3S — CID 43286773

IUPAC4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(OC)c(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C11H11NO3S/c1-14-7-3-4-10(15-2)8(5-7)9-6-16-11(13)12-9/h3-6H,1-2H3,(H,12,13)
InChIKeyPBTCUINOLAXIKT-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.12
Rot. Bonds3

About 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one

4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one (PubChem CID 43286773) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
PubChem CID43286773
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(OC)c(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C11H11NO3S/c1-14-7-3-4-10(15-2)8(5-7)9-6-16-11(13)12-9/h3-6H,1-2H3,(H,12,13)
InChIKeyPBTCUINOLAXIKT-UHFFFAOYSA-N
XLogP2.12
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459802
2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 11038757
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
2-(2,5-dimethoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one
CID 86342219
4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-3H-1,3-thiazol-2-one
CID 66889076
6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516835
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
CID 43817550

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one (CID 43286773) is 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one is COc1ccc(OC)c(-c2csc(=O)[nH]2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is PBTCUINOLAXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-14-7-3-4-10(15-2)8(5-7)9-6-16-11(13)12-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one?
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 237.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).