2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide

C14H14N2O3S — CID 140866666

IUPAC2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide
SMILESCc1cnc(-c2ccc(OC3COC3)cc2C(N)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-8-5-16-14(20-8)11-3-2-9(4-12(11)13(15)17)19-10-6-18-7-10/h2-5,10H,6-7H2,1H3,(H2,15,17)
InChIKeyRDOBEYZMSPLJMO-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.00
Rot. Bonds4

About 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide

2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide (PubChem CID 140866666) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide
PubChem CID140866666
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide
SMILESCc1cnc(-c2ccc(OC3COC3)cc2C(N)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-8-5-16-14(20-8)11-3-2-9(4-12(11)13(15)17)19-10-6-18-7-10/h2-5,10H,6-7H2,1H3,(H2,15,17)
InChIKeyRDOBEYZMSPLJMO-UHFFFAOYSA-N
XLogP2.00
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide (CID 140866666) is 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide is Cc1cnc(-c2ccc(OC3COC3)cc2C(N)=O)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide?
The InChIKey is RDOBEYZMSPLJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-5-16-14(20-8)11-3-2-9(4-12(11)13(15)17)19-10-6-18-7-10/h2-5,10H,6-7H2,1H3,(H2,15,17).
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide?
2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide has a molecular weight of 290.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide is sourced from PubChem (CID 140866666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).