(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

C14H15NO3S — CID 72947439

IUPAC(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C14H15NO3S/c1-8-9(2)19-14(15-8)13(16)12-10(17-3)6-5-7-11(12)18-4/h5-7H,1-4H3
InChIKeyPRQVBTJUOMXZNG-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.01
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (PubChem CID 72947439) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
PubChem CID72947439
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C14H15NO3S/c1-8-9(2)19-14(15-8)13(16)12-10(17-3)6-5-7-11(12)18-4/h5-7H,1-4H3
InChIKeyPRQVBTJUOMXZNG-UHFFFAOYSA-N
XLogP3.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (CID 72947439) is (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is COc1cccc(OC)c1C(=O)c1nc(C)c(C)s1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The InChIKey is PRQVBTJUOMXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-8-9(2)19-14(15-8)13(16)12-10(17-3)6-5-7-11(12)18-4/h5-7H,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
(2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 72947439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).